SCHEMBL6715646

SCHEMBL6715646

CCOc1ccc(-c2nc3c4ccccc4nc(CC)n3n2)cc1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 0.80
ADORA1 P30542 4/20 0.60
ADORA2A P29274 5/20 0.57
TP53 P04637 1/20 0.50
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
ADORA2B P29275 1/20 0.47

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
SCHEMBL6716599 0.89 ADORA3 (0.79) ADORA3ADORA1ADORA2AMAPTTHRB
SCHEMBL6716628 0.89 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6715434 0.88 ADORA3 (0.94) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6723204 0.86 ADORA3 (0.77) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL6715672 0.84 ADORA3 (0.78) ADORA3ADORA1ADORA2AMAPTPOLB
SCHEMBL6717315 0.84 ADORA3 (0.78) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL6713745 0.84 ADORA3 (0.78) ADORA3ADORA1ADORA2AMAPT
SCHEMBL6713872 0.84 ADORA3 (0.78) ADORA3ADORA1ADORA2ATP53MAPT
SCHEMBL6717031 0.81 ADORA3 (0.86) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6715604 0.78 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2B

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 ADORA3 1/4885ADORA1 2/4885ADORA2A 3/4885

“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.