SCHEMBL9109419

SCHEMBL9109419

NC(=O)c1[c]ccn2nc(-c3cccc(F)c3)nc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
CSNK1D P48730 2/20 0.41
HPGDS O60760 1/20 0.41
MAPK14 Q16539 1/20 0.38
FYN P06241 1/20 0.38
DHODH Q02127 1/20 0.38
CHEK2 O96017 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
PTGER1 P34995 2/20 0.36
AMY1A P0DUB6 1/20 0.35
CSNK1E P49674 1/20 0.35
MAP4K4 O95819 1/20 0.35
JAK2 O60674 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
KCNT1 Q5JUK3 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
SCHEMBL9108917 0.87 PARP1 (0.46) PARP1CSNK1DFYNDHODHPIK3CD
SCHEMBL9104561 0.85 PARP1 (0.61) PARP1CSNK1DDHODH
SCHEMBL9108527 0.83 PARP1 (0.39) PARP1CSNK1DDHODHCHEK2MAP4K4
SCHEMBL9106568 0.83 RIPK2 (0.47) PARP1CSNK1DPIK3CA
SCHEMBL9107219 0.83 PARP1 (0.41) PARP1CSNK1DDHODHCHEK2PIK3CA
SCHEMBL9109267 0.83 PARP1 (0.39) PARP1CSNK1DMAPK14DHODHCSNK1E
SCHEMBL9109219 0.80 PARP1 (0.38) PARP1DHODH
SCHEMBL9107989 0.80 PARP1 (0.46) PARP1
SCHEMBL9106392 0.79 PARP1 (0.47) PARP1CSNK1DDHODHMAP4K4JAK2
SCHEMBL9107534 0.79 CCNC (0.41) PARP1PIK3CBKCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP disclosed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO disclosed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 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 (1 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-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS PDE5A, PDE3A, PDE3B PARP1 1311/4885CSNK1D 342/4885HPGDS 2773/4885

“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.