SCHEMBL5952717

SCHEMBL5952717

Cc1cc2nc(-c3n[nH]c4c3COCC4)[nH]c2cc1C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITK Q08881 10/20 0.42
IL2 P60568 4/20 0.42
FABP6 P51161 1/20 0.40
METAP1 P53582 2/20 0.39
METAP2 P50579 1/20 0.39
CBFB Q13951 1/20 0.39
AMY1A P0DUB6 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
GUSB P08236 3/20 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
SCHEMBL5952112 0.83 MAPT (0.46) FABP6METAP1METAP2CBFBAMY1A
SCHEMBL5952714 0.83 MAPT (0.49) FABP6METAP1METAP2CBFBAMY1A
SCHEMBL5952998 0.82 MAPT (0.44) FABP6METAP1METAP2CBFBAMY1A
SCHEMBL5951979 0.79 SOS1 (0.45) FABP6METAP1METAP2CBFBAMY1A
SCHEMBL4948594 0.77 AURKA (0.55) ITKIL2
SCHEMBL5952318 0.74 KDM4E (0.45) ITKIL2
SCHEMBL6664934 0.73 CYP2C19 (0.37) ITKIL2METAP1METAP2CBFB
SCHEMBL5953301 0.72 MAPK1 (0.54)
SCHEMBL5952094 0.72 CREBBP (0.49) ITKIL2
SCHEMBL6770255 0.71 ITK (0.38) ITK

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 13 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
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-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 ITK 979/4885IL2 3071/4885FABP6 3234/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ITK 1317/4885IL2 3961/4885FABP6 3537/4885

“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.