SCHEMBL9107989

SCHEMBL9107989

NC(=O)c1[c]ccn2nc(-c3cccnc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 2/20 0.44
F12 P00748 4/20 0.44
F2 P00734 6/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
KLK14 Q9P0G3 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
IKBKB O14920 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
KLK3 P07288 1/20 0.40

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
SCHEMBL9104561 0.86 PARP1 (0.61) PARP1F2KMT2AMAPTKLK7
SCHEMBL9106392 0.85 PARP1 (0.47) PARP1MAPTCYP1A2CYP2C19KDR
SCHEMBL9108917 0.81 PARP1 (0.46) PARP1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL9109419 0.80 PARP1 (0.45) PARP1
SCHEMBL9106568 0.77 RIPK2 (0.47) PARP1MAPTIKBKBHSD17B10SMN1; SMN2
SCHEMBL9109013 0.77 PARP1 (0.37) PARP1MKNK1MKNK2
SCHEMBL9109267 0.77 PARP1 (0.39) PARP1MKNK1MKNK2
SCHEMBL9107219 0.75 PARP1 (0.41) PARP1MAPTIKBKBSMN1; SMN2
SCHEMBL14812133 0.74 PARP1 (0.49) PARP1MKNK1MKNK2F12F2
SCHEMBL9108527 0.73 PARP1 (0.39) PARP1MKNK2SMN1; SMN2

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 1311/4885MKNK1 3574/4885MKNK2 3405/4885

“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.