SCHEMBL7843685

SCHEMBL7843685

COc1ccc2c(C(C)(C)C)c[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HTR2A P28223 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CDK4 P11802 1/20 0.51
CCND1 P24385 1/20 0.51
HTR6 P50406 1/20 0.50
TUBB1 Q9H4B7 2/20 0.49
GPR84 Q9NQS5 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
GSK3B P49841 2/20 0.46
DYRK1A Q13627 2/20 0.46
NPC1 O15118 1/20 0.45
APOBEC3A P31941 1/20 0.45
RAB9A P51151 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
HTR2B P41595 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
SCHEMBL7839959 0.86 MTNR1A (0.59) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL25003205 0.79 PARP15 (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL25003193 0.79 HPGD (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL25139961 0.78 MAPT (0.50) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL25628953 0.77 HTR6 (0.49) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL12293263 0.77 HTR2A (0.49) KDM4EHTR2AMEN1KMT2ARAB9A
SCHEMBL8957519 0.77 KIF11 (0.49) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL1120777 0.77 KDM4E (0.60) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL21237260 0.76 MEN1 (0.47) MAPTALDH1A1KDM4EHTR2AMEN1
SCHEMBL15142959 0.75 CDK4 (0.42) MAPTALDH1A1KDM4EHTR2AMEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 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-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-18 US disclosed
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2020-10-22 US disclosed
US-10689388-B1 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2020-06-23 US disclosed
US-10570138-B2 Indole AHR inhibitors and uses thereof KYN THERAPEUTICS (US) 2020-02-25 US disclosed
US-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
US-8377945-B2 Small molecule inhibitors of spleen tyrosine kinase (SYK) RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 US disclosed
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) MIDCAP FINANCIAL TRUST 2010-12-16 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 (11 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-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use HTR2A, HTR2C, HTR2B MAPT 2474/4885ALDH1A1 857/4885KDM4E 2654/4885
US-10570138-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 MAPT 4171/4885ALDH1A1 316/4885KDM4E 923/4885
US-20100316649-A1 SMALL MOLECULE INHIBITORS OF SPLEEN TYROSINE KINASE (SYK) SYK, BTK, LCK MAPT 4045/4885ALDH1A1 4307/4885KDM4E 1205/4885
US-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 MAPT 4171/4885ALDH1A1 316/4885KDM4E 923/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 MAPT 4171/4885ALDH1A1 316/4885KDM4E 923/4885
US-10689388-B1 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 MAPT 4171/4885ALDH1A1 316/4885KDM4E 923/4885
US-20230028336-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 MAPT 4171/4885ALDH1A1 316/4885KDM4E 923/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MAPT 3895/4885ALDH1A1 4740/4885KDM4E 3143/4885
US-20210078997-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 MAPT 3099/4885ALDH1A1 3749/4885KDM4E 3754/4885
US-20210078996-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 MAPT 3895/4885ALDH1A1 4740/4885KDM4E 3143/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 MAPT 3564/4885ALDH1A1 4527/4885KDM4E 3964/4885

“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.