SCHEMBL3178043

SCHEMBL3178043

C=CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2COCC[Si](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 5/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MLKL Q8NB16 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA2B P29275 2/20 0.39

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
SCHEMBL3185427 0.88 MLKL (0.53) USP2L3MBTL1HTTLMNAALDH1A1
SCHEMBL555591 0.82 HTT (0.52) USP2HTTLMNAALDH1A1NPSR1
SCHEMBL27583007 0.80 LMNA (0.49) USP2L3MBTL1HTTLMNAALDH1A1
SCHEMBL835889 0.80 ALDH1A1 (0.43) USP2HTTLMNAALDH1A1POLB
SCHEMBL5718940 0.78 USP2 (0.72) USP2L3MBTL1HTTLMNAALDH1A1
SCHEMBL17993315 0.76 CYP1A2 (0.67) USP2L3MBTL1HTTLMNAALDH1A1
SCHEMBL554580 0.76 KMT2A (0.48) L3MBTL1HTTLMNACYP1A2CYP2C19
SCHEMBL3188422 0.75 CYP1A2 (0.62) USP2L3MBTL1HTTLMNAALDH1A1
SCHEMBL28553445 0.73 NCOA1 (0.38) L3MBTL1ALDH1A1POLBCYP1A2CYP2C19
SCHEMBL556093 0.73 MAPT (0.57) HTTLMNAALDH1A1POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20130150383-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-13 US disclosed
US-20130150383-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-13 US disclosed
EP-1781657-B1 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2013-03-27 EP disclosed
US-8394808-B2 HM74 receptor agonists:xanthine derivatives, corresponding pharmaceutical compositions, treatment methods and processes GLAXOSMITHKLINE LLC (US) 2013-03-12 US disclosed
US-8394808-B2 HM74 receptor agonists:xanthine derivatives, corresponding pharmaceutical compositions, treatment methods and processes GLAXOSMITHKLINE LLC (US) 2013-03-12 US disclosed
US-8268839-B2 Compounds GLAXOSMITHKLINE LLC (US) 2012-09-18 US disclosed
US-8268839-B2 Compounds GLAXOSMITHKLINE LLC (US) 2012-09-18 US disclosed
US-20100160354-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-06-24 US disclosed
US-20100160354-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-06-24 US disclosed
US-7713982-B2 Xanthines with HM74A receptor activity SMITHKLINE BEECHAM CORPORATION (US) 2010-05-11 US disclosed
US-7713982-B2 Xanthines with HM74A receptor activity SMITHKLINE BEECHAM CORPORATION (US) 2010-05-11 US disclosed
US-20100010021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-01-14 US disclosed
US-20100010021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-01-14 US disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
EP-1781657-A2 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-09 EP disclosed
WO-2005077950-A2 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (5 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-20070135456-A1 Medicaments with hm74a receptor activity HCAR1, GPR84, HCAR3 USP2 3953/4885L3MBTL1 4195/4885HTT 2048/4885
US-20150080418-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 USP2 4163/4885L3MBTL1 4441/4885HTT 1778/4885
US-20130150383-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 USP2 4163/4885L3MBTL1 4441/4885HTT 1778/4885
US-20100160354-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 USP2 4163/4885L3MBTL1 4441/4885HTT 1778/4885
US-20100010021-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 USP2 4163/4885L3MBTL1 4441/4885HTT 1778/4885

“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.