SCHEMBL5546368

SCHEMBL5546368

CCCn1c(-c2cccc(C)c2)nc2nc(-c3ccc(OCc4ccccc4)cc3)n(COCC[Si](C)(C)C)c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.43
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ADORA2B P29275 2/20 0.41
MAOB P27338 2/20 0.41
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
XBP1 P17861 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA2A P29274 3/20 0.38
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL2686035 0.91 ADORA1 (0.43) DGAT1ADRA1AKCNH2HRH3ADORA2B
SCHEMBL2686184 0.88 DGAT1 (0.44) DGAT1ADRA1AKCNH2HRH3ADORA2B
SCHEMBL5546218 0.87 ADORA1 (0.41) ADORA2BADORA2AADORA3
SCHEMBL1061950 0.84 ADORA2A (0.53) DGAT1ADRA1AKCNH2HRH3ADORA2B
SCHEMBL5547307 0.82 ADORA2B (0.40) ADRA1AKCNH2HRH3ADORA2BMAPT
SCHEMBL2685643 0.78 ADORA1 (0.47) DGAT1ADORA2BMAPTKMT2AADORA2A
SCHEMBL1720830 0.75 ADORA1 (0.41) ADRA1AKCNH2HRH3ADORA2BADORA2A
SCHEMBL1724102 0.72 ADORA2B (0.45) ADORA2BADORA2AADORA3
SCHEMBL12245132 0.70 ADORA2A (0.55) ADRA1AKCNH2HRH3ADORA2BMAPT
SCHEMBL1720586 0.70 EIF4E (0.48) ADRA1AKCNH2HRH3MAPTALDH1A1

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 4 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
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 DGAT1 2099/4885ADRA1A 99/4885KCNH2 3809/4885
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 DGAT1 2073/4885ADRA1A 100/4885KCNH2 3804/4885

“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.