SCHEMBL2889735

SCHEMBL2889735

Nc1nc(Cl)cc(Nc2ccc(Nc3ccnc4[nH]ccc34)c(Cl)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.61
POLA1 P09884 1/20 0.54
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 3/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AXL P30530 2/20 0.41
CDC7 O00311 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
CACNA1F O60840 1/20 0.41
RAF1 P04049 1/20 0.41
ERBB2 P04626 1/20 0.41
NTRK1 P04629 1/20 0.41
INSR P06213 1/20 0.41

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
SCHEMBL2889557 0.90 ROCK2 (0.63) ROCK2POLA1KMT2ACYP3A4MAPT
SCHEMBL2881832 0.90 ROCK2 (0.69) ROCK2POLA1KMT2ACYP3A4MAPT
SCHEMBL5320887 0.84 ROCK2 (0.43) ROCK2POLA1AXLCDC7DAPK3
SCHEMBL4406963 0.82 ROCK2 (0.65) ROCK2POLA1KMT2ACYP3A4MAPT
SCHEMBL2887878 0.79 PRKCI (0.53) ROCK2GAAAXLPRKACAPRKCD
SCHEMBL8271232 0.76 ROCK2 (0.67) ROCK2CYP3A4ROCK1
SCHEMBL8271607 0.76 ROCK2 (0.70) ROCK2CYP3A4MET
SCHEMBL2888351 0.76 ROCK2 (0.67) ROCK2POLA1CYP3A4MAPTPOLB
SCHEMBL2877122 0.76 ROCK2 (1.00) ROCK2CYP3A4AXLCDC7CHEK1
SCHEMBL857631 0.75 PRKCI (0.54) POLA1MAPTGAAAXLROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
EP-1742945-B1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER SCHERING PHARMA AG (DE) 2009-12-30 EP disclosed
EP-1742945-B1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER SCHERING PHARMA AG (DE) 2009-12-30 EP disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 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-20080269268-A1 Substituted Phenylamino-Pyrimidines TYMP, DPYD, HPRT1 ROCK2 4593/4885POLA1 305/4885KMT2A 2252/4885

“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.