SCHEMBL9108917

SCHEMBL9108917

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.46
CSNK1D P48730 3/20 0.45
HSD17B2 P37059 3/20 0.41
PIK3CD O00329 8/20 0.39
PIK3CB P42338 8/20 0.39
PIK3CG P48736 8/20 0.39
PIK3CA P42336 7/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
XBP1 P17861 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DHODH Q02127 1/20 0.38

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 0.87 PARP1 (0.45) PARP1CSNK1DPIK3CDPIK3CBPIK3CG
SCHEMBL9104561 0.86 PARP1 (0.61) PARP1CSNK1DCYP1A2MAPTCYP2C9
SCHEMBL9106568 0.84 RIPK2 (0.47) PARP1CSNK1DPIK3CALMNAMAPT
SCHEMBL9107219 0.82 PARP1 (0.41) PARP1CSNK1DPIK3CAMAPTDHODH
SCHEMBL9107989 0.81 PARP1 (0.46) PARP1MEN1CYP1A2MAPTCYP2C19
SCHEMBL9106392 0.80 PARP1 (0.47) PARP1CSNK1DCYP1A2CYP3A4MAPT
SCHEMBL9108527 0.80 PARP1 (0.39) PARP1CSNK1DPIK3CADHODH
SCHEMBL9109267 0.79 PARP1 (0.39) PARP1CSNK1DDHODH
SCHEMBL9108905 0.72 JAK2 (0.44) PARP1MEN1LMNAHTTKMT2A
SCHEMBL9109013 0.72 PARP1 (0.37) PARP1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US claimed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US claimed
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 342/4885HSD17B2 1556/4885

“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.