SCHEMBL14214508

SCHEMBL14214508

Cc1[nH]c2ccccc2c1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.57
▸ CYP1A2 P05177 3/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KIF11 P52732 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ GPR3 P46089 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HTT P42858 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ IMPDH2 P12268 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24611517 0.82 AHR (0.55) AHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL7809398 0.81 MAPT (0.50) AHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL24367843 0.81 AHR (0.50) AHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL4241023 0.80 AHR (0.48) AHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL6865431 0.79 CHRNB2 (0.53) AHRCYP1A2CYP2C19KDM4EKMT2A
SCHEMBL7915043 0.79 AHR (0.52) AHRCYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL15562637 0.78 KIF11 (0.46) AHRCYP1A2CYP2C19KDM4ETDP1
SCHEMBL13024122 0.76 ESR1 (0.60) MAPTKDM4EKMT2AKIF11ALDH1A1
SCHEMBL25004045 0.76 PARP1 (0.47) CYP1A2KDM4EKMT2AALDH1A1GPR3
Hydrochloric Acid SCHEMBL8462826 0.76 KIF11 (0.44) AHRCYP1A2CYP3A4CYP2C19MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059951-A1 INHIBITORS OF THE ANDROGEN RECEPTOR DNA-BINDING DOMAIN THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-03-28 — — WO disclosed
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 — — EP disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 — — US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 — — US disclosed
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 — — US disclosed
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 — — US disclosed
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2023-01-26 — — US disclosed
US-11358969-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-06-14 — — US disclosed
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 — — US disclosed
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 — — US disclosed
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2020-10-22 — — US disclosed
US-10570138-B2 Indole AHR inhibitors and uses thereof KYN THERAPEUTICS (US) 2020-02-25 — — US disclosed
US-10414757-B2 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof ARAXES PHARMA LLC (US) 2019-09-17 — — US disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 — — US disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 — — US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 — — US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 — — US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 — — US disclosed
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality PFIZER LIMITED (GB) 2008-05-01 — — US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 AHR 1/4885CYP1A2 55/4885CYP3A4 201/4885
US-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 AHR 1/4885CYP1A2 55/4885CYP3A4 201/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 AHR 1/4885CYP1A2 55/4885CYP3A4 201/4885
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 AHR 1/4885CYP1A2 55/4885CYP3A4 201/4885
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 AHR 13/4885CYP1A2 1479/4885CYP3A4 1211/4885
US-20080103130-A1 7-hydroxy-6-{[1-methyl-3-(1,3-thiazol-5-yl)propyl]amino}-4,5,6,7-tetrahydroimidazo[4,5,1-jk][1]benzazepin-2(1H)-one; agonists at the beta-2 adrenoceptor; feed additives for livestock animals; improving meat yield or meat quality ADRB2, ADRB1, ADRA2C AHR 523/4885CYP1A2 457/4885CYP3A4 895/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 AHR 1090/4885CYP1A2 360/4885CYP3A4 100/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 AHR 1/4885CYP1A2 55/4885CYP3A4 201/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 AHR 3059/4885CYP1A2 3908/4885CYP3A4 4069/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS AHR 2112/4885CYP1A2 1057/4885CYP3A4 1508/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI AHR 4304/4885CYP1A2 2839/4885CYP3A4 1813/4885
US-10414757-B2 2-substituted quinazoline compounds comprising a substituted heterocyclic group and methods of use thereof KRAS, NRAS, HRAS AHR 2276/4885CYP1A2 1227/4885CYP3A4 1725/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP AHR 3085/4885CYP1A2 4114/4885CYP3A4 4474/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB AHR 18/4885CYP1A2 1717/4885CYP3A4 1950/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP AHR 3085/4885CYP1A2 4114/4885CYP3A4 4474/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS AHR 2276/4885CYP1A2 1227/4885CYP3A4 1725/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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