SCHEMBL1243712

SCHEMBL1243712

Nc1ccc(C(=O)Nc2ccc(Nc3cc(-c4ccccc4OCc4ccccc4)ncn3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 12/20 0.56
CCNT1 O60563 11/20 0.56
EGFR P00533 2/20 0.47
ERBB2 P04626 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46

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
SCHEMBL5732695 0.93 CDK9 (0.61) CDK9CCNT1EGFRNPC1RAB9A
SCHEMBL4103963 0.89 EGFR (0.54) CDK9CCNT1EGFRNPC1RAB9A
SCHEMBL4114830 0.87 CDK9 (0.49) CDK9CCNT1EGFRUSP2ALDH1A1
SCHEMBL1243687 0.87 CDK9 (0.51) CDK9CCNT1EGFRUSP2ALDH1A1
SCHEMBL1243609 0.87 CDK9 (0.65) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL4114746 0.86 CCNT1 (0.59) CDK9CCNT1USP2ALDH1A1LMNA
SCHEMBL1244724 0.85 RAB9A (0.56) EGFRNPC1RAB9ARXFP1LMNA
SCHEMBL4105937 0.85 CDK9 (0.53) CDK9CCNT1EGFRUSP2ALDH1A1
SCHEMBL5760705 0.82 EGFR (0.64) CDK9CCNT1EGFRUSP2ALDH1A1
SCHEMBL4109070 0.82 PIP4K2C (0.50) CDK9CCNT1EGFRALDH1A1LMNA

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
EP-1678147-B1 PHARMACEUTICALLY ACTIVE 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS MODULATORS OF PROTEIN KINASES LEAD DISCOVERY CENTER GMBH (DE) 2012-08-08 EP claimed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US claimed
US-8084457-B2 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases LEAD DISCOVERY CENTER GMBH (DE) 2011-12-27 US disclosed
US-7879853-B2 tyrosisne kinase inhibitors such as N-[4-(6-Dibenzofuran-4-yl-pyrimidin-4-ylamino)-phenyl]-4-morpholin-4-yl-benzamide, used as anticasrcinogenic or antoproliferative agents, especially in the treatment of breast cancer BAYER SCHERING PHARMA AG (DE) 2011-02-01 US disclosed
US-20090221581-A1 Methods of treating pain ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 US disclosed
US-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-08-16 US disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 EP disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 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 (3 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-20070191344-A1 Pharmaceutically active 4,6-disubstituted aminopyrimidine derivatives as modulators of protein kinases DAPK1, DUSP4, MARK4 CDK9 137/4885CCNT1 2075/4885EGFR 2475/4885
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK CDK9 39/4885CCNT1 343/4885EGFR 645/4885
US-20090221581-A1 Methods of treating pain CDK5, CAMKK2, CDK3 CDK9 97/4885CCNT1 81/4885EGFR 4439/4885

“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.