SCHEMBL2685643

SCHEMBL2685643

CCCn1c(-c2cccc(C(F)(F)F)c2)nc2nc(-c3ccc(O)cc3)n(COCC[Si](C)(C)C)c2c1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.47
ADORA2B P29275 4/20 0.39
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
ADORA2A P29274 2/20 0.36
MDM2 Q00987 3/20 0.36
DGAT1 O75907 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 1/20 0.34

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
SCHEMBL5546218 0.90 ADORA1 (0.41) ADORA1ADORA2BADORA2A
SCHEMBL2686035 0.88 ADORA1 (0.43) ADORA1ADORA2BMDM2DGAT1MAPT
SCHEMBL1720830 0.83 ADORA1 (0.41) ADORA1ADORA2BADORA2A
SCHEMBL5546368 0.78 DGAT1 (0.43) ADORA2BADORA2ADGAT1MAPTKMT2A
SCHEMBL1066272 0.76 ADORA2B (0.52) ADORA2BADORA2A
SCHEMBL2684661 0.76 DGAT1 (0.36) ADORA2BADORA2ADGAT1MAPT
SCHEMBL5547307 0.74 ADORA2B (0.40) ADORA1ADORA2BADORA2AMAPT
SCHEMBL6984533 0.72 DGAT1 (0.43) ADORA1DGAT1MEN1MAPTKMT2A
SCHEMBL2686184 0.71 DGAT1 (0.44) ADORA2BADORA2ADGAT1MAPT
SCHEMBL1720351 0.69 DGAT1 (0.36) ADORA2BADORA2ADGAT1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284316-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2016-03-15 US disclosed
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2015-03-26 US disclosed
US-8859566-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2014-10-14 US disclosed
EP-2405917-B1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2014-04-23 EP disclosed
EP-2405917-B1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2014-04-23 EP disclosed
US-20120115864-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS LIMITED (IN) 2012-05-10 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 (2 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-20120115864-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2B 4/4885GRIN1 3082/4885
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2B 4/4885GRIN1 3101/4885

“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.