SCHEMBL5953570

SCHEMBL5953570

CCN(CC)C(=O)N1CCc2[nH]nc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.43
BRD4 O60885 2/20 0.42
CREBBP Q92793 2/20 0.42
EP300 Q09472 1/20 0.42
MAPK1 P28482 1/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
PIP5K1C O60331 1/20 0.37
USP2 O75604 1/20 0.37
FLT3 P36888 1/20 0.36
CXCR3 P49682 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
ITK Q08881 1/20 0.35

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 0.85 BRD4 (0.43) BRD4CREBBPMAPK1PIP5K1CITK
SCHEMBL5953297 0.84 CFTR (0.43) CFTRBRD4CREBBPEP300MAPK1
SCHEMBL5952127 0.82 ITK (0.41) BRD4CREBBPMAPK1PIP5K1CITK
SCHEMBL5953288 0.78 ACHE (0.43) ITK
SCHEMBL5953529 0.74 ITK (0.42) BRD4CREBBPMAPK1PIP5K1CITK
SCHEMBL5952436 0.72 PDPK1 (0.43) FLT3
SCHEMBL5953301 0.71 MAPK1 (0.54) BRD4CREBBPEP300MAPK1PIP5K1C
SCHEMBL5952249 0.71 MAPK1 (0.41) BRD4CREBBPEP300MAPK1PIP5K1C
SCHEMBL5953002 0.71 MAPK1 (0.41) CFTRBRD4CREBBPEP300MAPK1
SCHEMBL5953360 0.70 CREBBP (0.45) BRD4CREBBPEP300MAPK1PIP5K1C

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 CFTR 941/4885BRD4 605/4885CREBBP 1474/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CFTR 974/4885BRD4 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.