SCHEMBL9107534

SCHEMBL9107534

Cc1cc(-c2nc3c(C(N)=O)[c]ccn3n2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
PIK3CB P42338 1/20 0.40
PARP1 P09874 1/20 0.40
IRAK4 Q9NWZ3 9/20 0.38
KCNT1 Q5JUK3 1/20 0.37
PDE10A Q9Y233 1/20 0.35
MAPK1 P28482 1/20 0.34
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
ADORA2A P29274 1/20 0.33
IRAK1 P51617 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
SCHEMBL9109267 0.87 PARP1 (0.39) PARP1PDE10AADORA2A
SCHEMBL9106392 0.84 PARP1 (0.47) CCNCCDK8PARP1PIM1
SCHEMBL9104561 0.80 PARP1 (0.61) PARP1MAPK1ADORA2A
SCHEMBL9108917 0.80 PARP1 (0.46) PIK3CBPARP1
SCHEMBL9109419 0.79 PARP1 (0.45) PIK3CBPARP1KCNT1
SCHEMBL9106568 0.79 RIPK2 (0.47) PARP1IRAK4MAPK1
SCHEMBL9107989 0.78 PARP1 (0.46) PARP1
SCHEMBL9107219 0.76 PARP1 (0.41) PARP1
SCHEMBL9108527 0.75 PARP1 (0.39) PARP1PIM1
SCHEMBL1419832 0.74 DHODH (0.63) PIK3CBPARP1KCNT1PDE10A

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 2 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 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 CCNC 3432/4885CDK8 1924/4885PIK3CB 2578/4885

“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.