SCHEMBL5953096

SCHEMBL5953096

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 4/20 0.44
ITK Q08881 5/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.39
IL2 P60568 3/20 0.39
CREBBP Q92793 2/20 0.39
BRD4 O60885 1/20 0.39
HPSE Q9Y251 1/20 0.38
EP300 Q09472 1/20 0.37

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) PIP5K1CITKNPC1MAPK1IL2
SCHEMBL5953301 0.86 MAPK1 (0.54) PIP5K1CMAPTMAPK1CREBBPBRD4
SCHEMBL5952946 0.85 PIP5K1C (0.42) PIP5K1CITKNPC1SMN1; SMN2MAPT
SCHEMBL5953090 0.85 MAPK1 (0.41) PIP5K1CITKNPC1SMN1; SMN2MAPK1
SCHEMBL5953529 0.85 ITK (0.42) PIP5K1CITKMAPK1IL2CREBBP
SCHEMBL5953099 0.85 KMT2A (0.43) PIP5K1CITKSMN1; SMN2MAPK1CREBBP
SCHEMBL5953360 0.85 CREBBP (0.45) PIP5K1CITKKDM4ENPC1ALDH1A1
SCHEMBL5953484 0.84 MAPK1 (0.41) PIP5K1CITKNPC1SMN1; SMN2MAPK1
SCHEMBL5953002 0.83 MAPK1 (0.41) PIP5K1CITKNPC1MAPK1IL2
SCHEMBL5952126 0.83 BRD4 (0.43) PIP5K1CITKMAPK1IL2CREBBP

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
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-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 PIP5K1C 202/4885ITK 979/4885KDM4E 522/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A PIP5K1C 218/4885ITK 1317/4885KDM4E 645/4885

“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.