SCHEMBL2879724

SCHEMBL2879724

N#Cc1ccc(Nc2cc(Cl)nc(N)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 1/20 0.61
MAPT P10636 3/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ABCG2 Q9UNQ0 7/20 0.51
ABCB1 P08183 5/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
AGPAT2 O15120 5/20 0.48
PIK3C3 Q8NEB9 1/20 0.46
SCN9A Q15858 1/20 0.46
ABCC1 P33527 1/20 0.46
MEN1 O00255 1/20 0.45
PABPC1 P11940 1/20 0.45

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
SCHEMBL18153298 0.84 ABCG2 (0.54) POLA1MAPTPOLBGAASMN1; SMN2
SCHEMBL7356335 0.82 CYP1A2 (0.66) MAPTABCG2ABCB1NPC1RAB9A
SCHEMBL29609567 0.80 POLA1 (0.67) POLA1MAPTPOLBGAASMN1; SMN2
SCHEMBL3233125 0.80 MAPT (0.70) POLA1MAPTPOLBGAASMN1; SMN2
SCHEMBL28229117 0.80 POLA1 (0.67) POLA1MAPTPOLBGAASMN1; SMN2
SCHEMBL1320467 0.79 KMT2A (0.66) POLA1MAPTPOLBGAASMN1; SMN2
SCHEMBL4280314 0.79 AGPAT2 (0.79) ABCG2NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4282006 0.78 AGPAT2 (0.79) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL1181905 0.77 AGPAT2 (0.45) POLA1MAPTPOLBGAASMN1; SMN2
SCHEMBL1182341 0.76 ABCG2 (0.49) ABCG2ABCB1NPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-7737153-B2 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-20060241127-A1 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors BAYER HEALTHCARE AG (DE) 2006-10-26 US disclosed
EP-1562935-B1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2006-09-06 EP disclosed
WO-2004039796-A1 HETEROARYLOXY-SUBSTITUTED PHENYLAMINOPYRIMIDINES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-05-13 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 (1 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-20060241127-A1 Heteroaryloxy-substituted phenylaminopyrimidines as rho-kinase inhibitors ROCK1, ROCK2, RHOA POLA1 2725/4885MAPT 2488/4885POLB 2234/4885

“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.