SCHEMBL9108527

SCHEMBL9108527

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
CSNK1D P48730 3/20 0.36
CHEK2 O96017 2/20 0.35
CHEK1 O14757 1/20 0.35
HDAC1 Q13547 2/20 0.33
DYRK3 O43781 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PKN2 Q16513 1/20 0.33
PIM3 Q86V86 1/20 0.33
BRSK1 Q8TDC3 1/20 0.33
AURKB Q96GD4 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
STK17A Q9UEE5 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
HDAC2 Q92769 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
SCHEMBL9107219 0.92 PARP1 (0.41) PARP1CSNK1DCHEK2CHEK1PIK3CA
SCHEMBL9106568 0.85 RIPK2 (0.47) PARP1CSNK1DCSNK2A1PIK3CARIPK2
SCHEMBL9109419 0.83 PARP1 (0.45) PARP1CSNK1DCHEK2MAP4K4PIK3CA
SCHEMBL9110480 0.81 PARP1 (0.37) PARP1FABP4
SCHEMBL9108917 0.80 PARP1 (0.46) PARP1CSNK1DPIK3CADHODH
SCHEMBL9109267 0.76 PARP1 (0.39) PARP1CSNK1DMKNK2DHODH
SCHEMBL9107534 0.75 CCNC (0.41) PARP1PIM1
SCHEMBL9107989 0.73 PARP1 (0.46) PARP1MKNK2SMN1; SMN2
SCHEMBL9106392 0.73 PARP1 (0.47) PARP1CSNK1DMAP4K4PIM1CSNK2A1
SCHEMBL9109219 0.71 PARP1 (0.38) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP claimed
EP-2649070-A1 TRIAZOLOPYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-10-16 EP claimed
US-8349824-B2 Triazolopyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-01-08 US claimed
WO-2012076430-A1 TRIAZOLOPYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-14 WO claimed
US-20120142665-A1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-07 US claimed
US-20160031878-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-02-04 US disclosed
EP-2951176-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-12-09 EP disclosed
EP-2649070-B1 TRIAZOLOPYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-09-17 EP disclosed
WO-2014118039-A1 RADIOLABELED COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-08-07 WO 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 (2 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 342/4885CHEK2 2548/4885
US-20160031878-A1 RADIOLABELED COMPOUNDS SSTR3, SSTR1, NPSR1 PARP1 557/4885CSNK1D 2096/4885CHEK2 969/4885

“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.