SCHEMBL5953529

SCHEMBL5953529

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITK Q08881 16/20 0.42
IL2 P60568 4/20 0.42
MAPK1 P28482 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
PIP5K1C O60331 1/20 0.40

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
SCHEMBL5952126 0.89 BRD4 (0.43) ITKIL2MAPK1BRD4CREBBP
SCHEMBL5953301 0.89 MAPK1 (0.54) MAPK1BRD4CREBBPPIP5K1C
SCHEMBL5952249 0.88 MAPK1 (0.41) ITKIL2MAPK1BRD4CREBBP
SCHEMBL5953090 0.86 MAPK1 (0.41) ITKIL2MAPK1BRD4CREBBP
SCHEMBL5953002 0.86 MAPK1 (0.41) ITKIL2MAPK1BRD4CREBBP
SCHEMBL5952946 0.86 PIP5K1C (0.42) ITKMAPK1BRD4CREBBPPIP5K1C
SCHEMBL5953096 0.85 PIP5K1C (0.44) ITKIL2MAPK1BRD4CREBBP
SCHEMBL5953360 0.85 CREBBP (0.45) ITKIL2MAPK1BRD4CREBBP
SCHEMBL5952094 0.85 CREBBP (0.49) ITKIL2MAPK1BRD4CREBBP
SCHEMBL5953484 0.85 MAPK1 (0.41) ITKIL2MAPK1BRD4CREBBP

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
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 3071/4885MAPK1 154/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ITK 1317/4885IL2 3961/4885MAPK1 23/4885

“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.