SCHEMBL5215934

SCHEMBL5215934

CC#CC(=O)c1c(-c2ccc(F)cc2)nn2ccc(Cl)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.39
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
GRM5 P41594 2/20 0.36
TDP2 O95551 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL5464020 0.76 MAPK14 (0.51) MAPK14GRM5PTGS2BTK
SCHEMBL5218990 0.72 MAPK14 (0.41) MAPK14GABRPGABRDGABRA1GABRB1
SCHEMBL5216599 0.71 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13459296 0.70 DHODH (0.44) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL9911898 0.70 MAPK14 (0.40) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL1936109 0.69 MAPK14 (0.42) MAPK14GABRA5EGFRRAF1ADORA3
SCHEMBL1936155 0.68 DHODH (0.41) MAPK14ADORA1CSNK1DCSNK1EMEN1
SCHEMBL12164441 0.68 MAPK14 (0.55) MAPK14GRM5EGFRRAF1ADORA3
SCHEMBL3194040 0.68 EGFR (0.53) MAPK14EGFRRAF1ADORA3ADORA2A
SCHEMBL1936125 0.68 LMNA (0.45) MAPK14EGFRCSNK1DCSNK1EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423389-B1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SMITHKLINE BEECHAM CORP (US) 2007-06-06 EP disclosed
US-7087618-B2 Pyrazolopyridinyl pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-08-08 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
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
US-20050182080-A1 Therapeutic compounds CHAMBERLAIN STANLEY D (US) 2005-08-18 US disclosed
EP-1341788-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2005-08-10 EP disclosed
US-6919352-B2 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds SMITHKLINE BEECHAM CORPORATION (US) 2005-07-19 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-20040072853-A1 Therapeutic compounds CHAMBERLAIN STANLEY D (US) 2004-04-15 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 (6 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 4454/4885GABRP 2200/4885GABRD 3368/4885
US-20060058319-A1 Pyrazolopyridines, process for their preparation and use as therapeutic compounds CYP3A5, CYP3A4, CYP3A7 MAPK14 2256/4885GABRP 1035/4885GABRD 3199/4885
US-20050107400-A1 Use of pyrazolopyridines as therapeutic compounds QDPR, DPYD, ENTPD5 MAPK14 1551/4885GABRP 615/4885GABRD 2017/4885
US-20040072853-A1 Therapeutic compounds PCSK9, ABCB1, FURIN MAPK14 4359/4885GABRP 2166/4885GABRD 3380/4885
US-20050192303-A1 Pyrazolopyridinyl pyridine and pyrimidine therapeutic compounds DPYD, TYMP, P2RY4 MAPK14 2577/4885GABRP 827/4885GABRD 2819/4885
US-20050182080-A1 Therapeutic compounds PCSK9, FURIN, CYP11B2 MAPK14 4312/4885GABRP 1982/4885GABRD 3245/4885

“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.