SCHEMBL1613652

SCHEMBL1613652

Cc1cc(=O)n2nc(C)c(-c3cccs3)c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.40
ADORA3 P0DMS8 2/20 0.40
KDM4E B2RXH2 4/20 0.38
MAPT P10636 2/20 0.38
TYMP P19971 1/20 0.37
PLAT P00750 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL1615005 0.88 ALDH1A1 (0.38) PARP1ADORA3KDM4ETYMPPLAT
SCHEMBL1613744 0.85 PARP1 (0.37) PARP1ADORA3KDM4ETYMPPLAT
SCHEMBL1613643 0.84 KDM4E (0.41) PARP1ADORA3KDM4EPLATALDH1A1
SCHEMBL1279326 0.84 MEN1 (0.38) PARP1ADORA3KDM4EMAPTTYMP
SCHEMBL1613668 0.84 ADORA3 (0.39) PARP1ADORA3KDM4EMAPTALDH1A1
SCHEMBL1278649 0.84 KDM4E (0.39) PARP1ADORA3KDM4EMAPTALDH1A1
SCHEMBL1614734 0.81 MAPK14 (0.40) PARP1ADORA3KDM4EMAPTTYMP
SCHEMBL1614981 0.81 KCNQ3 (0.37) PARP1ADORA3KDM4EMAPTTYMP
SCHEMBL1614313 0.80 PIM1 (0.44) ADORA3KDM4EMAPTALDH1A1LMNA
SCHEMBL1613692 0.79 PARP1 (0.36) PARP1ADORA3KDM4EMAPTPLAT

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-8796285-B2 Pyrazolo [1,5-a]-pyrimidones derivatives and pharmaceutical compositions and uses thereof HEBEI MEDICAL UNIVERSITY (CN) 2014-08-05 US disclosed
US-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof PEKING UNIVERSITY (CN) 2012-04-12 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-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof KCNJ2, KCNQ5, KCNJ11 PARP1 640/4885ADORA3 164/4885KDM4E 1364/4885

“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.