SCHEMBL5953360

SCHEMBL5953360

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.45
BRD4 O60885 1/20 0.45
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
ITK Q08881 8/20 0.40
MAPK1 P28482 1/20 0.39
IL2 P60568 3/20 0.39
PIP5K1C O60331 1/20 0.39
EP300 Q09472 1/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
USP2 O75604 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38

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 0.87 MAPK1 (0.41) CREBBPBRD4ITKMAPK1IL2
SCHEMBL5953301 0.86 MAPK1 (0.54) CREBBPBRD4MAPK1PIP5K1CEP300
SCHEMBL5953529 0.85 ITK (0.42) CREBBPBRD4ITKMAPK1IL2
SCHEMBL5953096 0.85 PIP5K1C (0.44) CREBBPBRD4ITKMAPK1IL2
SCHEMBL5952126 0.85 BRD4 (0.43) CREBBPBRD4ITKMAPK1IL2
SCHEMBL5953090 0.83 MAPK1 (0.41) CREBBPBRD4ITKMAPK1IL2
SCHEMBL5952946 0.83 PIP5K1C (0.42) CREBBPBRD4ITKMAPK1PIP5K1C
SCHEMBL5953002 0.83 MAPK1 (0.41) CREBBPBRD4ITKMAPK1IL2
SCHEMBL5952094 0.82 CREBBP (0.49) CREBBPBRD4ITKMAPK1IL2
SCHEMBL5953484 0.82 MAPK1 (0.41) CREBBPBRD4ITKMAPK1IL2

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 CREBBP 1474/4885BRD4 605/4885DPP4 997/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A CREBBP 1852/4885BRD4 716/4885DPP4 1450/4885

“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.