SCHEMBL5951708

SCHEMBL5951708

Nc1c[nH]nc1-c1nc2cc(C(F)(F)F)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 11/20 0.45
PDPK1 O15530 1/20 0.43
DGAT1 O75907 5/20 0.41
KCNH2 Q12809 5/20 0.41
CBFB Q13951 1/20 0.40
SOAT1 P35610 2/20 0.39
FLT3 P36888 1/20 0.38
BACE1 P56817 1/20 0.36

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
SCHEMBL30061285 0.87 FGFR1 (0.46) NPBWR1PDPK1KCNH2FLT3
SCHEMBL28496270 0.87 FGFR1 (0.46) NPBWR1PDPK1KCNH2FLT3
SCHEMBL30061152 0.82 SMN1; SMN2 (0.38) PDPK1CBFBFLT3
SCHEMBL28498751 0.82 SMN1; SMN2 (0.38) PDPK1CBFBFLT3
SCHEMBL5951426 0.82 CBFB (0.47) CBFBBACE1
SCHEMBL6695582 0.82 PARP1 (0.45) NPBWR1PDPK1DGAT1KCNH2SOAT1
SCHEMBL5951462 0.80 KIF11 (0.43) NPBWR1PDPK1DGAT1KCNH2CBFB
SCHEMBL28500913 0.80 RAB9A (0.45) CBFB
SCHEMBL30061331 0.80 RAB9A (0.45) CBFB
SCHEMBL5951395 0.80 ALDH1A1 (0.40) CBFBBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US claimed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP claimed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US claimed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 WO claimed
CN-112047932-B Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2022-11-08 CN disclosed
CN-112047932-A Pyrazole spleen tyrosine kinase inhibitor and preparation method and application thereof 中国药科大学 2020-12-08 CN disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 NPBWR1 4340/4885PDPK1 291/4885DGAT1 4531/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A NPBWR1 3858/4885PDPK1 216/4885DGAT1 4380/4885

“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.