SCHEMBL9107219

SCHEMBL9107219

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
CSNK1D P48730 5/20 0.37
DHODH Q02127 1/20 0.34
RIPK2 O43353 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
DYRK1A Q13627 1/20 0.32
PIK3CA P42336 1/20 0.32
FABP4 P15090 1/20 0.32
CHEK2 O96017 2/20 0.32
CHEK1 O14757 1/20 0.32
LRRK2 Q5S007 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
IKBKB O14920 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL9108527 0.92 PARP1 (0.39) PARP1CSNK1DDHODHRIPK2NR1H2
SCHEMBL9106568 0.86 RIPK2 (0.47) PARP1CSNK1DRIPK2NR1H2NR1H3
SCHEMBL9109419 0.83 PARP1 (0.45) PARP1CSNK1DDHODHPIK3CACHEK2
SCHEMBL9108917 0.82 PARP1 (0.46) PARP1CSNK1DDHODHPIK3CAMAPT
SCHEMBL9104561 0.80 PARP1 (0.61) PARP1CSNK1DDHODHNR1H2NR1H3
SCHEMBL9109267 0.78 PARP1 (0.39) PARP1CSNK1DDHODH
SCHEMBL9107534 0.76 CCNC (0.41) PARP1
SCHEMBL9107989 0.75 PARP1 (0.46) PARP1SMN1; SMN2MAPTIKBKB
SCHEMBL9110480 0.74 PARP1 (0.37) PARP1FABP4ALDH1A1
SCHEMBL9106392 0.74 PARP1 (0.47) PARP1CSNK1DDHODHDYRK1AMAPT

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 342/4885DHODH 637/4885

“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.