SCHEMBL3214062

SCHEMBL3214062

COc1ccc(CNC(=O)c2cnc(-c3cc(C(=O)NC4CC4)ccc3C)nc2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.54
RIPK2 O43353 4/20 0.47
CYP2C9 P11712 2/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MAPK11 Q15759 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3214079 0.85 DRD4 (0.45) MAPK14CYP2C9MAPK11ALDH1A1CYP1A2
SCHEMBL3093483 0.81 MAPK14 (0.68) MAPK14RIPK2CYP2C9ROCK2ROCK1
SCHEMBL1417227 0.78 MAPK14 (0.61) MAPK14RIPK2MAPK11
SCHEMBL3528231 0.73 MAPK14 (0.54) MAPK14RIPK2CYP2C9MAPK11
SCHEMBL3407266 0.72 MAPK14 (0.76) MAPK14RIPK2CYP2C9ROCK2ROCK1
SCHEMBL17581163 0.72 HPGD (0.52) CYP2C9ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL22573829 0.72 ADORA2A (0.64) ALDH1A1
SCHEMBL17610472 0.71 GALR3 (0.53) CYP2C9CYP1A2CYP3A4HPGDCYP2C19
SCHEMBL3263497 0.71 POLB (0.63) CYP2C9ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL1386350 0.70 MAPK14 (0.56) MAPK14RIPK2MAPK11SMYD3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754726-B2 Benzamide derivatives as p-38 kinase inhibitors NOVARTIS AG (CH) 2010-07-13 US claimed
EP-1687284-B1 p-38 KINASE INHIBITORS NOVARTIS AG (CH) 2008-10-29 EP claimed
US-20070111999-A1 P-38 kinase inhibitors TRIAD THERAPEUTICS, INC (US) 2007-05-17 US claimed
EP-1687284-A2 p-38 KINASE INHIBITORS Novartis AG (CH) 2006-08-09 EP claimed
WO-2005012241-A2 p-38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-10 WO claimed
US-20050020590-A1 P-38 kinase inhibitors NOVARTIS AG (CH) 2005-01-27 US claimed
EP-2251333-A1 Biphenyl derivatives as P-38 kinase inhibitors Novartis AG (CH) 2010-11-17 EP disclosed
EP-1990338-B1 Biphenylcyclopropylamides as p-38 Kinase inhibitors NOVARTIS AG (CH) 2010-09-22 EP disclosed
EP-1990338-B1 Biphenylcyclopropylamides as p-38 Kinase inhibitors NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100234404-A1 P-38 Kinase Inhibitors LANG HENGYUAN 2010-09-16 US disclosed
US-20100234404-A1 P-38 Kinase Inhibitors LANG HENGYUAN 2010-09-16 US disclosed
US-20100234404-A1 P-38 Kinase Inhibitors LANG HENGYUAN 2010-09-16 US disclosed
US-7754726-B2 Benzamide derivatives as p-38 kinase inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
EP-1687284-B1 p-38 KINASE INHIBITORS NOVARTIS AG (CH) 2008-10-29 EP disclosed
US-20070111999-A1 P-38 kinase inhibitors TRIAD THERAPEUTICS, INC (US) 2007-05-17 US disclosed
US-20070111999-A1 P-38 kinase inhibitors TRIAD THERAPEUTICS, INC (US) 2007-05-17 US disclosed
US-20070111999-A1 P-38 kinase inhibitors TRIAD THERAPEUTICS, INC (US) 2007-05-17 US disclosed
EP-1687284-A2 p-38 KINASE INHIBITORS Novartis AG (CH) 2006-08-09 EP disclosed
WO-2005012241-A2 p-38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-10 WO disclosed
US-20050020590-A1 P-38 kinase inhibitors NOVARTIS AG (CH) 2005-01-27 US 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 (3 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-20070111999-A1 P-38 kinase inhibitors MAPK8, MAP3K8, MAPK1 MAPK14 52/4885RIPK2 489/4885CYP2C9 4795/4885
US-20050020590-A1 P-38 kinase inhibitors MAPK8, MAP3K8, MAPK1 MAPK14 55/4885RIPK2 490/4885CYP2C9 4809/4885
US-20100234404-A1 P-38 Kinase Inhibitors MAPK8, MAP3K8, MAPK1 MAPK14 52/4885RIPK2 489/4885CYP2C9 4795/4885

“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.