SCHEMBL6796288

SCHEMBL6796288

O=c1ccc2nncnc2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 16/20 0.35
APAF1 O14727 1/20 0.35
CASP6 P55212 1/20 0.35
ENPP1 P22413 3/20 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
SCHEMBL30498462 1.00 HCAR1 (0.35) HCAR1APAF1CASP6ENPP1
SCHEMBL167394 0.72 MAPK1 (0.46) HCAR1
SCHEMBL29623547 0.72 MAPK1 (0.46) HCAR1
SCHEMBL17489428 0.67 HCAR1 (0.38) HCAR1
SCHEMBL29578870 0.65 PDE3B (0.46)
SCHEMBL23326745 0.64 ENPP1 (0.44) ENPP1
SCHEMBL217007 0.64 PDE3B (0.48) ENPP1
SCHEMBL29362624 0.64 PDE3B (0.48) ENPP1
SCHEMBL1109019 0.63 HCAR1 (0.33) HCAR1
SCHEMBL8266929 0.63 PDE3B (0.32) HCAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6683183-B2 BICYCLIC HETEROCYCLES THAT INHIBIT CYCLIN-DEPENDENT KINASE OR TYROSINE KINASE ENZYMES, OR BOTH, FOR TREATMENT OF PROLIFERATIVE DISORDERS WARNER-LAMBERT COMPANY 2004-01-27 US disclosed
US-20020061865-A1 Pyridotriazines and pyridopyridazines KRAMER JAMES BERNARD (US) 2002-05-23 US disclosed
EP-1195378-A1 Pyridotriazines and pyridopyridazines WARNER-LAMBERT COMPANY (US) 2002-04-10 EP 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-20020061865-A1 Pyridotriazines and pyridopyridazines CDK1, CDK4, CDK2 HCAR1 1040/4885APAF1 1557/4885CASP6 3138/4885

“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.