SCHEMBL9109219

SCHEMBL9109219

NC(=O)c1[c]ccn2nc(-c3cccc(F)n3)nc12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
TGFBR1 P36897 12/20 0.38
TGFBR2 P37173 6/20 0.38
DHODH Q02127 1/20 0.33

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
SCHEMBL9109419 0.80 PARP1 (0.45) PARP1DHODH
SCHEMBL9109013 0.77 PARP1 (0.37) PARP1TGFBR1TGFBR2DHODH
SCHEMBL9109267 0.77 PARP1 (0.39) PARP1TGFBR1DHODH
SCHEMBL9108917 0.76 PARP1 (0.46) PARP1DHODH
SCHEMBL9106392 0.75 PARP1 (0.47) PARP1DHODH
SCHEMBL9108905 0.74 JAK2 (0.44) PARP1
SCHEMBL9107989 0.74 PARP1 (0.46) PARP1
SCHEMBL9106568 0.73 RIPK2 (0.47) PARP1
SCHEMBL9107219 0.73 PARP1 (0.41) PARP1DHODH
SCHEMBL9106104 0.72 PARP1 (0.33) PARP1

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 1311/4885TGFBR1 499/4885TGFBR2 924/4885

“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.