SCHEMBL5953099

SCHEMBL5953099

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
PIP5K1C O60331 1/20 0.43
CREBBP Q92793 2/20 0.42
BRD4 O60885 1/20 0.42
MAPK1 P28482 1/20 0.38
ITK Q08881 3/20 0.37
EP300 Q09472 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
HPSE Q9Y251 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
SCHEMBL5953096 0.85 PIP5K1C (0.44) PIP5K1CCREBBPBRD4MAPK1ITK
SCHEMBL5953301 0.84 MAPK1 (0.54) PIP5K1CCREBBPBRD4MAPK1EP300
SCHEMBL5952946 0.84 PIP5K1C (0.42) PIP5K1CCREBBPBRD4MAPK1ITK
SCHEMBL5952126 0.83 BRD4 (0.43) PIP5K1CCREBBPBRD4MAPK1ITK
SCHEMBL5952249 0.82 MAPK1 (0.41) PIP5K1CCREBBPBRD4MAPK1ITK
SCHEMBL5953090 0.82 MAPK1 (0.41) PIP5K1CCREBBPBRD4MAPK1ITK
SCHEMBL5953002 0.82 MAPK1 (0.41) PIP5K1CCREBBPBRD4MAPK1ITK
SCHEMBL5953529 0.82 ITK (0.42) PIP5K1CCREBBPBRD4MAPK1ITK
SCHEMBL5953360 0.81 CREBBP (0.45) KMT2APIP5K1CCREBBPBRD4MAPK1
SCHEMBL5952094 0.81 CREBBP (0.49) PIP5K1CCREBBPBRD4MAPK1ITK

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 11 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-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 KMT2A 1678/4885PIP5K1C 202/4885CREBBP 1474/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A KMT2A 1844/4885PIP5K1C 218/4885CREBBP 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.