SCHEMBL13145644

SCHEMBL13145644

CC(C)(C)c1ccnc(Cl)c1Cl

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.31
ATR Q13535 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
PMP22 Q01453 1/20 0.31
UHRF1 Q96T88 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL11954926 0.80 TP53 (0.32) ATRRXFP1
SCHEMBL13145628 0.80 CA2 (0.38) LMNAMAPTCA2
SCHEMBL21719265 0.80 UHRF1 (0.33) UHRF1
SCHEMBL25144093 0.80 ATR (0.30) ATRRXFP1
SCHEMBL25101446 0.79 TDP1 (0.40) MAPTMAPK1
SCHEMBL9574520 0.79 CYP3A4 (0.33) LMNACYP3A4MAPTAPEX1MAPK1
SCHEMBL21719022 0.78 AAK1 (0.34)
SCHEMBL3089749 0.78
SCHEMBL15889710 0.78 NOS2 (0.39)
SCHEMBL11955164 0.78 AAK1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912685-B2 Biphenyl diaryl pyrimidine derivative with aromatic heterocyclic structure FUDAN UNIVERSITY (CN) 2024-02-27 US disclosed
US-11912685-B2 Biphenyl diaryl pyrimidine derivative with aromatic heterocyclic structure FUDAN UNIVERSITY (CN) 2024-02-27 US disclosed
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-03-09 US disclosed
US-20210403449-A1 BIPHENYL DIARYL PYRIMIDINE DERIVATIVE WITH AROMATIC HETEROCYCLIC STRUCTURE FUDAN UNIVERSITY (CN) 2021-12-30 US disclosed
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors JACOBIO PHARMACEUTICALS CO LTD (CN) 2021-12-23 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-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-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-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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 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 (7 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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 CCR4 3499/4885ATR 787/4885RXFP1 3334/4885
US-11912685-B2 Biphenyl diaryl pyrimidine derivative with aromatic heterocyclic structure DPYD, TYMP, DHODH CCR4 487/4885ATR 2838/4885RXFP1 4558/4885
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors PTPN1, PTPN5, PTPN2 CCR4 1101/4885ATR 2127/4885RXFP1 3171/4885
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 CCR4 6/4885ATR 4623/4885RXFP1 891/4885
US-20230075221-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF TH, CYP4X1, CYP4B1 CCR4 791/4885ATR 147/4885RXFP1 521/4885
US-20210403449-A1 BIPHENYL DIARYL PYRIMIDINE DERIVATIVE WITH AROMATIC HETEROCYCLIC STRUCTURE DPYD, TYMP, DHODH CCR4 487/4885ATR 2838/4885RXFP1 4558/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB CCR4 3077/4885ATR 1245/4885RXFP1 2959/4885

“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.