SCHEMBL5953516

SCHEMBL5953516

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ITK Q08881 12/20 0.38
IL2 P60568 4/20 0.37
FASN P49327 2/20 0.35
CYP2C19 P33261 1/20 0.34
MET P08581 2/20 0.34
FLT3 P36888 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33

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
SCHEMBL5953522 0.84 MAPK3 (0.39) MAPK3MAPK1MAP2K1ITKIL2
SCHEMBL5952249 0.80 MAPK1 (0.41) MAPK1ITKIL2FASNNPC1
SCHEMBL5953301 0.78 MAPK1 (0.54) MAPK1
SCHEMBL5953529 0.78 ITK (0.42) MAPK1ITKIL2
SCHEMBL5953360 0.77 CREBBP (0.45) MAPK1ITKIL2NPC1RAB9A
SCHEMBL5953096 0.77 PIP5K1C (0.44) MAPK1ITKIL2NPC1RAB9A
SCHEMBL6664934 0.77 CYP2C19 (0.37) ITKIL2CYP2C19
SCHEMBL6770255 0.76 ITK (0.38) ITKCYP2C19
SCHEMBL5953002 0.76 MAPK1 (0.41) MAPK1ITKIL2NPC1
SCHEMBL5952946 0.76 PIP5K1C (0.42) MAPK1ITKNPC1ATM

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 MAPK3 76/4885MAPK1 154/4885MAP2K1 333/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAPK3 78/4885MAPK1 23/4885MAP2K1 410/4885

“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.