SCHEMBL9108905

SCHEMBL9108905

COc1ccccc1-c1nc2c(C(N)=O)[c]ccn2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.44
IKBKB O14920 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
BRCA1 P38398 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PARP1 P09874 2/20 0.39
JAK3 P52333 3/20 0.38
RECQL P46063 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL9110480 0.85 PARP1 (0.37) HTTATMKDM4EALDH1A1USP2
SCHEMBL9109013 0.80 PARP1 (0.37) PARP1
SCHEMBL9106568 0.78 RIPK2 (0.47) IKBKBKDM4EALDH1A1TSHRMAPK1
SCHEMBL9109219 0.74 PARP1 (0.38) PARP1
SCHEMBL9109419 0.74 PARP1 (0.45) JAK2PARP1
SCHEMBL9106392 0.73 PARP1 (0.47) JAK2PARP1
SCHEMBL4654899 0.73 IKBKB (0.44) IKBKBHTTKDM4EGAAALDH1A1
SCHEMBL9107989 0.72 PARP1 (0.46) IKBKBHPGDHSD17B10PARP1MEN1
SCHEMBL3088335 0.72 IKBKB (0.45) IKBKBHTTKDM4EALDH1A1HPGD
SCHEMBL9107534 0.71 CCNC (0.41) MAPK1PARP1

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 JAK2 921/4885IKBKB 2939/4885HTT 3327/4885

“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.