SCHEMBL2651997

SCHEMBL2651997

[CH2]c1nc2n(n1)CCNC2

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL15933475 0.76 PDCD1 (0.41) PDCD1CD274
SCHEMBL4234253 0.76 PDCD1 (0.48) PDCD1CD274
SCHEMBL20792880 0.76 PDCD1 (0.41) PDCD1CD274
Hydrochloric Acid SCHEMBL20141433 0.74 PDCD1 (0.40) PDCD1CD274
SCHEMBL4237524 0.73 PDCD1 (0.43) PDCD1CD274
SCHEMBL24687617 0.72 PDCD1 (0.42) PDCD1CD274
SCHEMBL1620214 0.72 PDCD1 (0.39) PDCD1CD274
SCHEMBL20319383 0.72 PDCD1 (0.42) PDCD1CD274
SCHEMBL15933523 0.72 PDCD1 (0.42) PDCD1CD274
SCHEMBL13931060 0.72 PDCD1 (0.39) PDCD1CD274

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-1121361-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2007-08-29 EP disclosed
US-20030060467-A1 Pyrazolo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-27 US disclosed
US-6476030-B1 Pyrazolo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2002-11-05 US disclosed
EP-1121361-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS Merck Sharp & Dohme Limited (GB) 2001-08-08 EP disclosed
WO-2000023449-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-04-27 WO 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-20030060467-A1 Pyrazolo-triazine derivatives as ligands for gaba receptors GABRA5, GABRA3, GABRA4 PDCD1 1125/4885CD274 1746/4885

“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.