SCHEMBL6715365

SCHEMBL6715365

CCc1nc2n[nH]cc2c2nc(-c3ccc(OC)cc3)nn12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.55
ADORA3 P0DMS8 14/20 0.53
ADORA1 P30542 7/20 0.53
ADORA2B P29275 3/20 0.53
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
XDH P47989 1/20 0.47
MAPT P10636 1/20 0.44
THRB P10828 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
SCHEMBL6723522 0.89 ADORA3 (0.52) ADORA2AADORA3ADORA1ADORA2BXDH
SCHEMBL6720001 0.89 ADORA2A (0.71) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6715427 0.87 ADORA3 (0.53) ADORA2AADORA3ADORA1ADORA2BXDH
SCHEMBL6716651 0.82 ADORA3 (0.55) ADORA2AADORA3ADORA1ADORA2BKDM4E
SCHEMBL6723677 0.81 ADORA2A (0.56) ADORA2AADORA3ADORA1ADORA2BKDM4E
SCHEMBL6715662 0.81 ADORA3 (0.58) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6716599 0.80 ADORA3 (0.79) ADORA2AADORA3ADORA1KDM4EALDH1A1
SCHEMBL6715600 0.79 ADORA2A (0.71) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6713748 0.78 ADORA3 (0.70) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL6714117 0.78 ADORA3 (0.67) ADORA2AADORA3ADORA1ADORA2B

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-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-07-22 US disclosed
EP-1364953-A1 TRIAZOLOQUINAZOLINE AND PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES, MEDICINAL COMPOSITIONS, ADENOSINE A3 RECEPTOR AFFINITY AGENTS, OCULAR TENSION LOWERING AGENTS, PREPARATIONS FOR PREVENTING AND TREATING GLAUCOMA AND METHOD OF LOWERING OCULAR TENSION OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2003-11-26 EP 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-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension ADORA3, ADORA1, ADORA2A ADORA2A 3/4885ADORA3 1/4885ADORA1 2/4885

“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.