SCHEMBL5951987

SCHEMBL5951987

Cc1cc2nc(-c3n[nH]c4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
F12 P00748 3/20 0.39
PIP5K1C O60331 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CHEK2 O96017 1/20 0.39
ITK Q08881 4/20 0.38
IL2 P60568 2/20 0.38
ESR2 Q92731 1/20 0.38
ACACB O00763 2/20 0.37
NPC1 O15118 1/20 0.37
NR1H2 P55055 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
SCHEMBL5953340 0.93 ESR2 (0.37) MAPK1BRD4CREBBPF12PIP5K1C
SCHEMBL5952946 0.89 PIP5K1C (0.42) MAPK1BRD4CREBBPPIP5K1CITK
SCHEMBL5953002 0.87 MAPK1 (0.41) MAPK1BRD4CREBBPPIP5K1CITK
SCHEMBL5953301 0.86 MAPK1 (0.54) MAPK1BRD4CREBBPPIP5K1C
SCHEMBL5953297 0.86 CFTR (0.43) MAPK1BRD4CREBBPPIP5K1CPARP1
SCHEMBL5952249 0.83 MAPK1 (0.41) MAPK1BRD4CREBBPPIP5K1CITK
SCHEMBL5953090 0.83 MAPK1 (0.41) MAPK1BRD4CREBBPPIP5K1CITK
SCHEMBL5953529 0.83 ITK (0.42) MAPK1BRD4CREBBPPIP5K1CITK
SCHEMBL5952094 0.82 CREBBP (0.49) MAPK1BRD4CREBBPPIP5K1CITK
SCHEMBL5953484 0.82 MAPK1 (0.41) MAPK1BRD4CREBBPPIP5K1CITK

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 12 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-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 MAPK1 154/4885BRD4 605/4885CREBBP 1474/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAPK1 23/4885BRD4 716/4885CREBBP 1852/4885

“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.