SCHEMBL6216787

SCHEMBL6216787

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cc(F)ccc4OCc4ccccc4)ncnc32)[C@H](O)[C@@H]1N

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 17/20 0.86
ADORA1 P30542 4/20 0.67
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL6482054 0.94 ADORA3 (0.84) ADORA3ADORA1CYP3A4
SCHEMBL6213534 0.93 ADORA3 (0.86) ADORA3ADORA1
SCHEMBL6211486 0.92 ADORA3 (0.85) ADORA3ADORA1CYP1A2CYP3A4MAPT
SCHEMBL6212503 0.92 ADORA3 (1.00) ADORA3ADORA1
SCHEMBL6212935 0.92 ADORA3 (0.85) ADORA3ADORA1
SCHEMBL6217135 0.92 ADORA3 (0.82) ADORA3ADORA1
SCHEMBL6217610 0.92 ADORA3 (0.84) ADORA3ADORA1CYP1A2CYP3A4MAPT
SCHEMBL6212725 0.91 ADORA3 (0.82) ADORA3ADORA1CYP1A2CYP3A4MAPT
SCHEMBL6215767 0.91 ADORA3 (0.82) ADORA3ADORA1CYP1A2CYP3A4MAPT
SCHEMBL6217410 0.88 ADORA3 (0.91) ADORA3ADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216257-B1 COMPOUNDS FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2005-12-07 EP disclosed
US-6803457-B1 ADENOSINE RECEPTORS; FOR REDUCTION OF TISSUE DAMAGE RESULTING FROM HYPOXIA/CARDIOVASCULAR DISORDERS IN MAMMALS/HUMANS PFIZER, INC. 2004-10-12 US disclosed
US-20040198693-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2004-10-07 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-20040198693-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 ADORA3 26/4885ADORA1 227/4885CYP1A2 3049/4885

“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.