SCHEMBL4098775

SCHEMBL4098775

Nc1ncc(Cc2ccc(=O)[nH]c2)c(-c2ccco2)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.45
ADORA1 P30542 8/20 0.45
ADORA2B P29275 3/20 0.45
ADORA3 P0DMS8 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
DHFR P00374 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
SCHEMBL1553935 0.79 ADORA1 (0.63) ADORA2AADORA1ADORA2BPDE3BPDE3A
SCHEMBL1554139 0.72 ADORA2A (0.54) ADORA2AADORA1ADORA2BDHFR
SCHEMBL7149019 0.70 ADORA2A (0.46) ADORA2AADORA1ADORA2BDHFR
SCHEMBL3456558 0.70 ADORA1 (0.57) ADORA2AADORA1ADORA2BPDE3BPDE3A
SCHEMBL6133799 0.69 ADORA2A (0.54) ADORA2AADORA1ADORA2BADORA3PDE3B
SCHEMBL7144400 0.69 ADORA2A (0.50) ADORA2AADORA1ADORA2BDHFR
SCHEMBL4330714 0.67 ADORA2A (0.57) ADORA2AADORA1ADORA2B
SCHEMBL7147816 0.66 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3DHFR
SCHEMBL7144862 0.66 ADORA2A (0.50) ADORA2AADORA1ADORA2BDHFR
SCHEMBL30353572 0.66 ADORA2A (0.52) ADORA2AADORA1ADORA2BDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111986-A1 NOVEL CRYSTALS OF PYRIMIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME HARADA HITOSHI 2009-04-30 US claimed

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-20090111986-A1 NOVEL CRYSTALS OF PYRIMIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME UMPS, P2RX5, APC ADORA2A 332/4885ADORA1 203/4885ADORA2B 1033/4885

“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.