SCHEMBL2115367

SCHEMBL2115367

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(NC(C)=O)ncnc43)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.55
ADORA2B P29275 2/20 0.55
ADORA1 P30542 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
ADORA3 P0DMS8 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
SCHEMBL439196 0.93 ADORA2A (0.54) ADORA2AADORA2BADORA1PRKAG1PRKAA1
SCHEMBL30901148 0.93 ADORA2A (0.54) ADORA2AADORA2BADORA1PRKAG1PRKAA1
SCHEMBL2115365 0.90 PRMT5 (0.46) ADORA2AADORA2BPRMT5WDR77ADORA3
SCHEMBL9294052 0.87 ADORA2A (0.49) ADORA2AADORA2BADORA1PRKAG1PRKAA1
SCHEMBL9024698 0.86 P2RY12 (0.49) ADORA2AADORA2BPRMT5WDR77ADORA3
SCHEMBL2111739 0.86 TYMP (0.48) ADORA2AADORA2BADORA1PRKAG1PRKAA1
SCHEMBL9096320 0.85 TYMP (0.56) ADORA2AADORA2BADORA1PRKAG1PRKAA1
SCHEMBL5580213 0.85 ADORA1 (0.57) ADORA2BADORA1PRMT5WDR77ADORA3
SCHEMBL439195 0.84 PRMT5 (0.45) ADORA2AADORA2BPRMT5WDR77ADORA3
SCHEMBL7523809 0.84 PRMT5 (0.45) ADORA2AADORA2BPRMT5WDR77ADORA3

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-8158770-B2 Content dependent inhibitors of cytidine deaminases and uses thereof UNIVERSITY OF ROCHESTER (US) 2012-04-17 US disclosed
US-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-16 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-20090099105-A1 Content dependent inhibitors of cytidine deaminases and uses thereof DCTD, CDA, ADA ADORA2A 608/4885ADORA2B 1327/4885ADORA1 1559/4885

“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.