SCHEMBL2887002

SCHEMBL2887002

O=[N+]([O-])c1ccc(Nc2ccnc3[nH]cc(F)c23)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK6 Q13882 3/20 0.45
ERBB2 P04626 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PLK1 P53350 1/20 0.39
HIF1A Q16665 1/20 0.38
EGFR P00533 2/20 0.38
IGF1R P08069 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.38
NAMPT P43490 1/20 0.38
XDH P47989 1/20 0.38
MET P08581 1/20 0.37

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
SCHEMBL2881022 0.92 PTK6 (0.41) PTK6ERBB2KMT2AMEN1MAPT
SCHEMBL2881321 0.92 CDK4 (0.41) PTK6ERBB2KMT2AMEN1MAPT
SCHEMBL2885462 0.90 POLB (0.40) PTK6ERBB2KMT2AMEN1MAPT
SCHEMBL2886078 0.82 TTBK1 (0.43) PTK6ERBB2KMT2AMEN1MAPT
SCHEMBL4404315 0.77 AURKA (0.37) PTK6ERBB2CYP3A4METCCNC
SCHEMBL15541909 0.73 KMT2A (0.43) PTK6KMT2AMEN1MAPTALDH1A1
SCHEMBL27193278 0.72 MAPT (0.49) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2886241 0.72 MAPT (0.39) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL23081494 0.72 HSPB1 (0.44) MAPTALDH1A1HTTCYP3A4MET
SCHEMBL5050786 0.72 KDR (0.58) EGFRMET

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 11 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
EP-1742945-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 WO 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 PTK6 1489/4885ERBB2 2301/4885KMT2A 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.