SCHEMBL3214079

SCHEMBL3214079

COc1ccc(CNC(=O)c2cnc(-c3cccc(C(=O)NC4CC4)c3C)nc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.45
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
HPGD P15428 6/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
MAPK14 Q16539 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
MCHR1 Q99705 1/20 0.42
MAPK11 Q15759 1/20 0.42

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
SCHEMBL3214062 0.85 MAPK14 (0.54) HPGDALDH1A1POLBL3MBTL1CYP1A2
SCHEMBL22573829 0.74 ADORA2A (0.64) ALDH1A1EGLN1
SCHEMBL17581163 0.72 HPGD (0.52) HPGDALDH1A1POLBL3MBTL1CYP1A2
SCHEMBL17610472 0.71 GALR3 (0.53) HPGDCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3263497 0.71 POLB (0.63) HPGDALDH1A1POLBL3MBTL1CYP1A2
SCHEMBL921981 0.69 HPGD (0.70) HPGDALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL2430797 0.68 HSP90AA1 (0.88) HSP90AA1HSP90AB1
SCHEMBL2430799 0.68 HSP90AA1 (0.88) HSP90AA1HSP90AB1
SCHEMBL1417227 0.68 MAPK14 (0.61) SMN1; SMN2MAPK14MAPK11NPC1RAB9A
SCHEMBL1012283 0.68 TYRO3 (0.54) HPGDALDH1A1SMN1; SMN2MEN1KMT2A

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 17 patents. 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
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
US-7700622-B2 p-38 kinase inhibitors NOVARTIS AG (CH) 2010-04-20 US disclosed
EP-1990338-A2 Biphenylcyclopropylamides as p-38 Kinase inhibitors Novartis AG (CH) 2008-11-12 EP 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
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 DRD4 4847/4885HSP90AA1 77/4885HSP90AB1 60/4885
US-20050020590-A1 P-38 kinase inhibitors MAPK8, MAP3K8, MAPK1 DRD4 4852/4885HSP90AA1 79/4885HSP90AB1 52/4885
US-20100234404-A1 P-38 Kinase Inhibitors MAPK8, MAP3K8, MAPK1 DRD4 4847/4885HSP90AA1 77/4885HSP90AB1 60/4885

“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.