SCHEMBL5953301

SCHEMBL5953301

CC(=O)N1CCc2[nH]nc(-c3nc4cc(C)c(C)cc4[nH]3)c2C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
CREBBP Q92793 12/20 0.47
EP300 Q09472 11/20 0.47
BRD4 O60885 2/20 0.45
BAZ2B Q9UIF8 6/20 0.45
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PIP5K1C O60331 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
SCHEMBL5952249 0.89 MAPK1 (0.41) MAPK1CREBBPEP300BRD4PIP5K1C
SCHEMBL5953529 0.89 ITK (0.42) MAPK1CREBBPBRD4PIP5K1C
SCHEMBL5953002 0.89 MAPK1 (0.41) MAPK1CREBBPEP300BRD4PIP5K1C
SCHEMBL5952946 0.89 PIP5K1C (0.42) MAPK1CREBBPEP300BRD4LMNA
SCHEMBL5953090 0.89 MAPK1 (0.41) MAPK1CREBBPEP300BRD4LMNA
SCHEMBL5953484 0.88 MAPK1 (0.41) MAPK1CREBBPEP300BRD4LMNA
SCHEMBL5952094 0.88 CREBBP (0.49) MAPK1CREBBPEP300BRD4PIP5K1C
SCHEMBL5952126 0.86 BRD4 (0.43) MAPK1CREBBPBRD4PIP5K1C
SCHEMBL5953096 0.86 PIP5K1C (0.44) MAPK1CREBBPEP300BRD4MAPT
SCHEMBL5951987 0.86 MAPK1 (0.39) MAPK1CREBBPBRD4PIP5K1C

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 10 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-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 154/4885CREBBP 1474/4885EP300 1058/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAPK1 23/4885CREBBP 1852/4885EP300 1361/4885

“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.