SCHEMBL2115365

SCHEMBL2115365

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cnc3c(NC(C)=O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
ADORA2A P29274 3/20 0.45
ADORA2B P29275 3/20 0.45
ADORA3 P0DMS8 1/20 0.45
BMPR1B O00238 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
SCHEMBL439195 0.93 PRMT5 (0.45) PRMT5WDR77ADORA2AADORA2BADORA3
SCHEMBL7523809 0.91 PRMT5 (0.45) PRMT5WDR77ADORA2AADORA2BADORA3
SCHEMBL2115367 0.90 ADORA2A (0.55) PRMT5WDR77ADORA2AADORA2BADORA3
SCHEMBL2111737 0.86 PRMT5 (0.45) PRMT5WDR77
SCHEMBL5580212 0.86 ADORA1 (0.55) PRMT5WDR77ADORA2BADORA3
SCHEMBL2115345 0.84 TAS1R3 (0.52) ADORA2AADORA2BADORA3
SCHEMBL30901148 0.83 ADORA2A (0.54) PRMT5WDR77ADORA2AADORA2BADORA3
SCHEMBL439196 0.83 ADORA2A (0.54) PRMT5WDR77ADORA2AADORA2BADORA3
SCHEMBL9024698 0.82 P2RY12 (0.49) PRMT5WDR77ADORA2AADORA2BADORA3
SCHEMBL888000 0.81 ADORA3 (0.43) ADORA2AADORA3

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 PRMT5 211/4885WDR77 504/4885ADORA2A 608/4885

“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.