SCHEMBL6631994

SCHEMBL6631994

CSc1ncc(C=O)c2nc(-c3ccco3)nn12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.60
ADORA2A P29274 7/20 0.60
ADORA1 P30542 7/20 0.60
ADORA2B P29275 4/20 0.50
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 5/20 0.49
HPGD P15428 7/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
F2 P00734 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL6627833 0.83 ADORA2A (0.66) ADORA3ADORA2AADORA1ADORA2BKMT2A
SCHEMBL6631103 0.79 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL6631069 0.76 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6633210 0.76 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6632640 0.75 ADORA2A (0.50) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL10712100 0.72 ADORA3 (0.61) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL31657838 0.72 ADORA3 (0.61) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL31657841 0.72 ADORA3 (0.61) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL29335112 0.72 HSD17B10 (0.65) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL6623318 0.71 ADORA3 (0.76) ADORA3ADORA2AADORA1ADORA2BMAPT

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
EP-1430898-A1 RECEPTOR ANTAGONIST KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-23 EP disclosed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 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-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 ADORA3 85/4885ADORA2A 89/4885ADORA1 129/4885

“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.