SCHEMBL2972249

SCHEMBL2972249

COc1ccc(-c2cnc(NCCN3CCNC3=O)nc2-c2cccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 14/20 0.47
CASP1 P29466 13/20 0.47
CASP7 P55210 13/20 0.47
CYP1A2 P05177 13/20 0.47
CYP3A4 P08684 12/20 0.47
MEN1 O00255 11/20 0.47
KMT2A Q03164 11/20 0.47
ALDH1A1 P00352 9/20 0.47
HIF1A Q16665 8/20 0.47
BRCA1 P38398 3/20 0.47
HBB P68871 2/20 0.47
SCN9A Q15858 1/20 0.46
ADORA1 P30542 2/20 0.46
ADORA2A P29274 1/20 0.45
HPGDS O60760 1/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2983353 0.91 SCN9A (0.55) USP2CASP1CASP7CYP1A2CYP3A4
SCHEMBL2974989 0.90 ADORA1 (0.43) USP2CASP1CASP7CYP1A2CYP3A4
SCHEMBL2971703 0.89 ADORA1 (0.49) USP2CASP1CASP7CYP1A2CYP3A4
SCHEMBL2986078 0.89 ADORA1 (0.56) USP2CASP1CASP7CYP1A2CYP3A4
SCHEMBL2982979 0.89 ADK (0.43) USP2CASP1CASP7CYP1A2CYP3A4
SCHEMBL2989049 0.89 SCN9A (0.52) USP2CASP1CASP7CYP1A2CYP3A4
SCHEMBL2982038 0.89 ADORA1 (0.47) USP2CASP1CASP7CYP1A2CYP3A4
SCHEMBL2977453 0.89 ADORA1 (0.47) USP2CASP1CASP7CYP1A2CYP3A4
SCHEMBL2983029 0.88 ADORA1 (0.46) USP2CASP1CASP7CYP1A2CYP3A4
SCHEMBL2984782 0.87 ADORA1 (0.46) USP2CASP1CASP7CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 USP2 3167/4885CASP1 2189/4885CASP7 2581/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 USP2 3167/4885CASP1 2189/4885CASP7 2581/4885

“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.