SCHEMBL984971

SCHEMBL984971

Nc1cnc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 8/20 0.53
DGAT1 O75907 5/20 0.46
KCNH2 Q12809 4/20 0.46
TNKS O95271 1/20 0.46
WNT3A P56704 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
KDR P35968 1/20 0.44
SCN2A Q99250 2/20 0.43
SOAT1 P35610 1/20 0.42

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
SCHEMBL986608 0.85 CYP1A2 (0.53) NPBWR1DGAT1KCNH2SCN2A
SCHEMBL5621043 0.85 ALDH1A1 (0.54) NPBWR1TNKSTNKS2
SCHEMBL24074354 0.84 NPBWR1 (0.48) NPBWR1DGAT1KCNH2TNKSWNT3A
SCHEMBL985864 0.84 ALDH1A1 (0.47) TNKSTNKS2CCNB2CDK1CCNB1
SCHEMBL24074361 0.83 TRPV1 (0.51) NPBWR1DGAT1KCNH2TNKSWNT3A
SCHEMBL983953 0.82 ALDH1A1 (0.45)
SCHEMBL987245 0.81 MMP2 (0.52) TNKSTNKS2CCNB2CDK1CCNB1
SCHEMBL988039 0.81 ALDH1A1 (0.56) NPBWR1TNKSTNKS2CCNB2CDK1
SCHEMBL985911 0.81 CDK5 (0.50) NPBWR1TNKSTNKS2CCNB2CDK1
SCHEMBL986878 0.81 ALDH1A1 (0.54) TNKSTNKS2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF NPBWR1 3190/4885DGAT1 4366/4885KCNH2 3413/4885

“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.