SCHEMBL1612463

SCHEMBL1612463

CC1(C)NC(=O)c2c(N)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.37
ADORA2A P29274 3/20 0.36
PTPRC P08575 1/20 0.36
PARP1 P09874 3/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
RGS12 O14924 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
APEX1 P27695 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
MTOR P42345 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
CASP7 P55210 1/20 0.36
GNAI1 P63096 1/20 0.36

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
SCHEMBL20886845 0.83 DAO (0.39) PARP1POLBNPSR1PDK2CD44
SCHEMBL3484208 0.78 TXNRD1 (0.41) THRBCYP3A4MEN1USP2CYP1A2
SCHEMBL12749338 0.77 MOGAT2 (0.38) THRBADORA2APTPRCPARP1CYP3A4
SCHEMBL6625665 0.76 PDK2 (0.47) THRBADORA2APTPRCPARP1CYP3A4
SCHEMBL1355925 0.75 ALDH1A1 (0.47) CYP3A4MEN1USP2MAPTKMT2A
SCHEMBL1613435 0.74 LCK (0.43) THRBADORA2APTPRCPARP1CYP3A4
SCHEMBL1613571 0.73 S100A4 (0.46) PTPRCPARP1MEN1MAPTRECQL
SCHEMBL29217183 0.72 PARP1 (0.44) THRBADORA2APTPRCPARP1CYP3A4
SCHEMBL29657076 0.71 AR (0.31)
SCHEMBL18863346 0.71 AR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781640-B1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-01-07 EP disclosed
US-20110086842-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-14 US disclosed
US-20090163465-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-25 US disclosed
US-20090149438-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-11 US disclosed
US-7521457-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-21 US disclosed
EP-1781640-A1 2,4-DI(AMINOPHENYL)PYRIMIDINE DERIVATIVES AS PLK INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP disclosed
US-20060148800-A1 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
WO-2006021544-A1 2,4-DI(AMINOPHENYL) PYRIMIDINES AS PLK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-02 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 (4 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-20090163465-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP THRB 2322/4885ADORA2A 108/4885PTPRC 1317/4885
US-20110086842-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP THRB 2322/4885ADORA2A 108/4885PTPRC 1317/4885
US-20090149438-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP THRB 2322/4885ADORA2A 108/4885PTPRC 1317/4885
US-20060148800-A1 Pyrimidines as PLK inhibitors PLK2, PLK3, TYMP THRB 2322/4885ADORA2A 108/4885PTPRC 1317/4885

“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.