SCHEMBL2466528

SCHEMBL2466528

Cc1nccn1-c1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
KDM4E B2RXH2 1/20 0.62
POLB P06746 2/20 0.45
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NOS1 P29475 1/20 0.41
CRHR1 P34998 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
PDE7A Q13946 1/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3836024 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL15218938 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL8911834 0.78 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBMAPTATM
SCHEMBL1926995 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBSMN1; SMN2MAPT
SCHEMBL7849307 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL11349289 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBRAB9ASMN1; SMN2
SCHEMBL13007815 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11266362 0.75 CASP1 (0.42) ALDH1A1POLBSMN1; SMN2PDE7AMAPT
SCHEMBL3528958 0.75 KDM4E (0.51) ALDH1A1KDM4ECYP2C9
SCHEMBL25259776 0.75 PDE7A (0.44) ALDH1A1POLBCRHR1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014175832-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-10-30 WO disclosed
US-8426404-B2 e.g. 3-[1-(6-Amino-pyrimidin-4-yl)-1H-benzoimidazol-2-ylamino]-4-methyl-N-[4-(2-methyl-imidazol-1-yl)-3-trifluoromethyl-phenyl]-benzamide; receptor and non-receptor tyrosine kinases and serine/threonine kinases inhibitor; antiproliferative agent; immune and nervous system disorders NOVARTIS AG (CH) 2013-04-23 US disclosed
US-8426404-B2 e.g. 3-[1-(6-Amino-pyrimidin-4-yl)-1H-benzoimidazol-2-ylamino]-4-methyl-N-[4-(2-methyl-imidazol-1-yl)-3-trifluoromethyl-phenyl]-benzamide; receptor and non-receptor tyrosine kinases and serine/threonine kinases inhibitor; antiproliferative agent; immune and nervous system disorders NOVARTIS AG (CH) 2013-04-23 US disclosed
US-8426404-B2 e.g. 3-[1-(6-Amino-pyrimidin-4-yl)-1H-benzoimidazol-2-ylamino]-4-methyl-N-[4-(2-methyl-imidazol-1-yl)-3-trifluoromethyl-phenyl]-benzamide; receptor and non-receptor tyrosine kinases and serine/threonine kinases inhibitor; antiproliferative agent; immune and nervous system disorders NOVARTIS AG (CH) 2013-04-23 US disclosed
EP-1899329-B1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-05 EP disclosed
EP-1899329-B1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-05 EP disclosed
US-7652022-B2 N-(4-(4-(4-hydroxyphenylamino)-pyrimidin-6-yl)-oxyphenyl)-N'-(3-trifluoromethylphenyl)-urea; NOVARTIS AG (CH) 2010-01-26 US disclosed
EP-1511730-B8 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2009-04-08 EP disclosed
US-20080255112-A1 Pyrimidine-Substituted Benzimidazole Derivatives as Protein Kinase Inhibitors IRM LLC (BM) 2008-10-16 US disclosed
US-20080255112-A1 Pyrimidine-Substituted Benzimidazole Derivatives as Protein Kinase Inhibitors IRM LLC (BM) 2008-10-16 US disclosed
US-20080255112-A1 Pyrimidine-Substituted Benzimidazole Derivatives as Protein Kinase Inhibitors IRM LLC (BM) 2008-10-16 US disclosed
EP-1899329-A1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC A Delware Limited Liability Company (BM) 2008-03-19 EP disclosed
WO-2007005673-A1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-01-11 WO disclosed
WO-2007005673-A1 PYRIMIDINE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-01-11 WO disclosed
US-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases FLOERSHEIMER ANDREAS 2006-06-15 US disclosed
EP-1511730-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2005-03-09 EP disclosed
WO-2003099771-A2 DIARYL UREA DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2003-12-04 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 (2 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-20060128734-A1 Diaryl urea derivatives useful for the treatment of protein kinase dependent diseases UCK2, PRKDC, PRKACA ALDH1A1 3040/4885KDM4E 1003/4885POLB 2981/4885
US-20080255112-A1 Pyrimidine-Substituted Benzimidazole Derivatives as Protein Kinase Inhibitors BMX, FYN, BRSK2 ALDH1A1 4197/4885KDM4E 2681/4885POLB 3221/4885

“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.