SCHEMBL5378944

SCHEMBL5378944

CC(=O)c1c(-c2ccc(F)cc2)nn2cc(C(F)(F)F)ccc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.58
CSNK1D P48730 3/20 0.40
CSNK1E P49674 2/20 0.40
CSNK1A1 P48729 2/20 0.40
KCNK3 O14649 3/20 0.39
SRC P12931 2/20 0.39
BRAF P15056 2/20 0.39
KDR P35968 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCB1 P08183 1/20 0.38
DHODH Q02127 1/20 0.37
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL30944198 0.89 MAPK14 (0.59) MAPK14CSNK1DCSNK1ECSNK1A1SRC
SCHEMBL3208171 0.87 MAPK14 (0.55) MAPK14CSNK1DCSNK1ECSNK1A1KCNK3
SCHEMBL30944245 0.87 MAPK14 (0.55) MAPK14CSNK1DCSNK1ECSNK1A1SRC
SCHEMBL5875536 0.84 MAPK14 (0.55) MAPK14CSNK1DCSNK1ECSNK1A1KCNK3
SCHEMBL5382140 0.82 MAPK14 (0.50) MAPK14CSNK1DCSNK1ECSNK1A1SRC
SCHEMBL5382134 0.82 MAPK14 (0.50) MAPK14CSNK1DCSNK1ECSNK1A1SRC
SCHEMBL3197101 0.82 MAPK14 (0.47) MAPK14CSNK1DCSNK1ECSNK1A1KCNK3
SCHEMBL3209665 0.80 MAPK14 (0.53) MAPK14CSNK1DCSNK1ECSNK1A1KCNK3
SCHEMBL3209673 0.80 MAPK14 (0.53) MAPK14CSNK1DCSNK1ECSNK1A1KCNK3
SCHEMBL3442008 0.80 TRPA1 (0.45) MAPK14CSNK1DCSNK1EKDM4ENPSR1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166597-B2 Fused pyrazole derivatives being protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-01-23 US disclosed
US-7034030-B2 Pyralopyridines, process for their preparation and use as therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-25 US disclosed
US-7030134-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-04-18 US disclosed
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds ALBERTI MICHAEL J 2006-03-16 US disclosed
EP-1311507-B1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LTD (GB) 2006-03-01 EP disclosed
US-6962914-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-11-08 US disclosed
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds GUDMUNDSSON KRISTJAN (US) 2005-09-01 US disclosed
EP-1385847-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2005-06-01 EP disclosed
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
US-20040142941-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2004-07-22 US disclosed
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-03-18 US disclosed
EP-1372642-A1 USE OF PYRAZOLOPYRIDINES AS THERAPEUTIC COMPOUNDS SmithKline Beecham Corporation (US) 2004-01-02 EP disclosed
EP-1311507-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-21 EP disclosed
WO-2002078701-A1 USE OF PYRAZOLOPYRIDINES AS THERAPEUTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 WO disclosed
WO-2002016359-A1 FUSED PYRAZOLE DERIVATIVES BEING PROTEIN KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2002-02-28 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 (5 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-20040142941-A1 Therapeutic compounds PCSK9, ABCB1, ABCB11 MAPK14 4454/4885CSNK1D 466/4885CSNK1E 307/4885
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP3A7 MAPK14 2256/4885CSNK1D 542/4885CSNK1E 1031/4885
US-20040053942-A1 Fused pyrazole derivatives bieng protein kinase inhibitors RAF1, SBK3, MAP3K3 MAPK14 77/4885CSNK1D 291/4885CSNK1E 292/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885CSNK1D 2789/4885CSNK1E 3121/4885
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds DPYD, TYMP, P2RY4 MAPK14 2577/4885CSNK1D 479/4885CSNK1E 824/4885

“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.