SCHEMBL1386400

SCHEMBL1386400

Nc1cccc(C(=O)c2cnn(-c3ccc(F)cc3)c2N)c1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.77
GAK O14976 1/20 0.63
LCK P06239 1/20 0.63
CYP3A4 P08684 1/20 0.63
PDGFRB P09619 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
MAPK9 P45984 1/20 0.63
MAPK10 P53779 1/20 0.63
EPHA5 P54756 1/20 0.63
MAPK11 Q15759 1/20 0.63

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
SCHEMBL2354967 0.89 MAPK14 (0.75) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL6158122 0.88 MAPK14 (0.73) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL6162515 0.88 MAPK14 (0.73) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL6159398 0.88 MAPK14 (0.73) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL2358527 0.85 MAPK14 (0.70) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL6159367 0.85 MAPK14 (0.70) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL6159246 0.85 MAPK14 (0.69) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL6160339 0.85 MAPK14 (0.69) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL4731609 0.84 MAPK14 (0.77) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL6158206 0.84 MAPK14 (0.71) MAPK14GAKLCKCYP3A4PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4838121-B2 2011-12-14 JP claimed
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed
WO-2007096151-A2 INHIBITORS OF P38-KINASE FOR TREATMENT OF PULMONARY HYPERTENSION NOVARTIS AG (CH) 2007-08-30 WO claimed
JP-2007521278-A 2007-08-02 JP claimed
CN-1832928-A 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2006-09-13 CN claimed
EP-1641764-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS Novartis AG (CH) 2006-04-05 EP claimed
EP-1075467-B1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-03-30 EP claimed
US-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2005-03-03 US claimed
WO-2005009973-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-03 WO claimed
CN-1147476-C Pyrazole derivatives as P-38 MAP kinase inhibitors - 2004-04-28 CN claimed
CN-1300282-A Pyrazole derivatives as P-38 MAP kinase inhibitors HOFFMANN LA ROCHE (CH) 2001-06-20 CN claimed
US-8580838-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2013-11-12 US disclosed
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8410160-B2 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 US disclosed
EP-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 EP disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
CN-1300282-A Pyrazole derivatives as P-38 MAP kinase inhibitors HOFFMANN LA ROCHE (CH) 2001-06-20 CN disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 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 (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-20050049288-A1 5-MEMBERED HETEROCYCLE-BASED p38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885GAK 62/4885LCK 131/4885
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885GAK 57/4885LCK 135/4885
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 MAPK14 33/4885GAK 57/4885LCK 135/4885

“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.