SCHEMBL10197579

SCHEMBL10197579

CC1CNc2ccc(Br)cc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.44
BRD4 O60885 5/20 0.38
CREBBP Q92793 5/20 0.38
AKR1B1 P15121 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
AHR P35869 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL30046905 1.00 PBRM1 (0.44) PBRM1BRD4CREBBPAKR1B1MAPKAPK2
SCHEMBL10197537 1.00 PBRM1 (0.44) PBRM1BRD4CREBBPAKR1B1MAPKAPK2
SCHEMBL16823857 0.86 PBRM1 (0.47) PBRM1BRD4CREBBPAKR1B1MAPKAPK2
SCHEMBL16123162 0.86 PBRM1 (0.47) PBRM1BRD4CREBBPAKR1B1MAPKAPK2
SCHEMBL22791448 0.81 CREBBP (0.46) BRD4CREBBPAKR1B1MAPKAPK2MAPT
SCHEMBL7345041 0.81 CREBBP (0.46) BRD4CREBBPAKR1B1MAPKAPK2MAPT
SCHEMBL23920083 0.79 AKR1B1 (0.39) BRD4CREBBPAKR1B1AHRHTR2A
SCHEMBL5245933 0.79 BRD4 (0.59) BRD4CREBBP
SCHEMBL22955689 0.79 AKR1B1 (0.39) BRD4CREBBPAKR1B1AHRHTR2A
SCHEMBL30991547 0.79 AKR1B1 (0.39) BRD4CREBBPAKR1B1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300129-B Heterocyclic compounds as BCR-ABL inhibitors 苏州亚盛药业有限公司 2021-09-14 CN disclosed
WO-2021018194-A1 HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-02-04 WO disclosed
CN-112300129-A Heterocyclic compounds as BCR-ABL inhibitors 苏州亚盛药业有限公司 2021-02-02 CN disclosed
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-8637507-B2 Bicyclic compounds as inhibitors of diacylglycerol acyltransferase MERCK SHARP & DOHME CORP. (US) 2014-01-28 US disclosed
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
US-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 US disclosed
US-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-12-29 US disclosed
US-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-12-29 US disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 WO disclosed
WO-2010107765-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 WO 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 (2 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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT PBRM1 4071/4885BRD4 157/4885CREBBP 805/4885
US-20110319403-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT PBRM1 4375/4885BRD4 181/4885CREBBP 761/4885

“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.