SCHEMBL9108544

SCHEMBL9108544

Nc1nc(-c2ccc(O)cc2)ns1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.66
ADORA2A P29274 1/20 0.66
ADORA2B P29275 1/20 0.66
ADORA1 P30542 1/20 0.66
HSD17B1 P14061 2/20 0.51
HSD17B2 P37059 2/20 0.51
CYP19A1 P11511 2/20 0.48
LTA4H P09960 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL20390644 0.80 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1HSD17B1
SCHEMBL11332250 0.80 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL9852272 0.80 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL16238754 0.80 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL20390138 0.80 ADORA3 (0.66) ADORA3ADORA2AADORA2BADORA1HSD17B1
SCHEMBL69810 0.79 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL1180545 0.78 HSD17B1 (0.72) ADORA3ADORA2AADORA2BADORA1HSD17B1
SCHEMBL3252621 0.78 ADORA3 (0.68) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL13659745 0.76 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1CYP19A1
SCHEMBL13822161 0.76 ADORA3 (0.59) ADORA3ADORA2AADORA2BADORA1CYP19A1

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-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ADORA3 215/4885ADORA2A 123/4885ADORA2B 130/4885

“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.