SCHEMBL1724878

SCHEMBL1724878

CCCn1c(N2CCCC2)nc2nc(-c3cn[nH]c3)n(COCC[Si](C)(C)C)c2c1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 4/20 0.37
▸ ADORA2B P29275 3/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAT2A P31153 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ GRM2 Q14416 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MTOR P42345 1/20 0.30

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
SCHEMBL1061721 0.81 ADORA2B (0.51) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1065748 0.81 ADORA2B (0.50) ADORA1ADORA2BADORA2AADORA3
SCHEMBL1724520 0.80 ADORA2B (0.37) ADORA1ADORA2BADORA2AADORA3LMNA
SCHEMBL1724800 0.80 ADORA2B (0.42) ADORA1ADORA2BADORA2AADORA3LMNA
SCHEMBL1724538 0.76 ADORA2B (0.47) ADORA2B
SCHEMBL21121438 0.75 ADORA2B (0.39) ADORA1ADORA2BADORA2AADORA3ALDH1A1
SCHEMBL1064077 0.73 MLKL (0.45) ADORA1ADORA2BADORA2AADORA3LMNA
SCHEMBL24591551 0.69 ADORA2B (0.41) ADORA1ADORA2BADORA2AADORA3ALDH1A1
SCHEMBL15998426 0.69 ADORA2A (0.32) ADORA1ADORA2BADORA2AADORA3
SCHEMBL5546218 0.69 ADORA1 (0.41) ADORA1ADORA2BADORA2AADORA3

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 12 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-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-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-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
US-20120115864-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS LIMITED (IN) 2012-05-10 — — US disclosed
EP-2405917-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS Advinus Therapeutics Private Limited (IN) 2012-01-18 — — EP disclosed
WO-2010103547-A2 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-09-16 — — WO 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 4/4885ADORA2A 1/4885
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 ADORA1 2/4885ADORA2B 4/4885ADORA2A 1/4885

“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.

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