SCHEMBL6718573

SCHEMBL6718573

CCCCCCc1nc2ccccc2c2nc(-c3ccccc3)nn12

nearest known ligand 0.90

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.90
ADORA1 P30542 1/20 0.90
ADORA2A P29274 4/20 0.77
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62

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
SCHEMBL6716491 0.99 ADORA3 (0.93) ADORA3ADORA1ADORA2APOLBMAPT
SCHEMBL6715414 0.95 ADORA3 (1.00) ADORA3ADORA1ADORA2APOLBMAPT
SCHEMBL6715370 0.93 ADORA3 (0.93) ADORA3ADORA1ADORA2A
SCHEMBL6723233 0.93 ADORA3 (1.00) ADORA3ADORA1ADORA2A
SCHEMBL6714205 0.91 ADORA3 (0.93) ADORA3ADORA1ADORA2A
SCHEMBL6716700 0.91 ADORA3 (0.93) ADORA3ADORA1ADORA2A
SCHEMBL6719480 0.91 ADORA3 (0.93) ADORA3ADORA1ADORA2A
SCHEMBL6714112 0.91 ADORA3 (0.93) ADORA3ADORA1ADORA2A
SCHEMBL6716643 0.90 ADORA3 (0.85) ADORA3ADORA1ADORA2APOLBMAPT
SCHEMBL6716964 0.89 ADORA3 (1.00) ADORA3ADORA1ADORA2A

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.