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Sugi Predict / Compounds / SCHEMBL2587381

SCHEMBL2587381

SCHEMBL2587381

CC(C)(C)OC(=O)N1CC=C(c2ccc3nc(OC4CCN(C(=O)OCC[Si](C)(C)C)CC4)sc3c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPC P11150 2/20 0.44
▸ LIPG Q9Y5X9 2/20 0.44
▸ CDK7 P50613 1/20 0.42
▸ CDK13 Q14004 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42
▸ CHEK2 O96017 2/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ GPR119 Q8TDV5 3/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ JAK1 P23458 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ KIT P10721 1/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ CACNB4 O00305 1/20 0.37
▸ CACNA1A O00555 1/20 0.37
▸ CACNA1G O43497 1/20 0.37
▸ CACNG3 O60359 1/20 0.37

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
SCHEMBL2594174 0.91 KDM4E (0.35) LIPCLIPGGPR119KIT
SCHEMBL14729113 0.86 CDK7 (0.47) LIPCLIPGCDK7CDK13CDK12
SCHEMBL2583897 0.84 PDE4B (0.43) CHEK2PIK3CAGPR119NAMPTTLR7
SCHEMBL2594545 0.84 CDK7 (0.47) LIPCLIPGCDK7CDK13CDK12
SCHEMBL12178006 0.82 NAMPT (0.44) LIPCLIPGCDK7CDK13CDK12
SCHEMBL14728839 0.81 GPR119 (0.50) LIPCLIPGCDK7CDK13CDK12
SCHEMBL2594647 0.81 CDK7 (0.42) LIPCLIPGCDK7CDK13CDK12
SCHEMBL2592069 0.80 KIT (0.48) LIPCLIPGCDK7CDK13CDK12
SCHEMBL12178017 0.80 CDK7 (0.42) LIPCLIPGCDK7CDK13CDK12
SCHEMBL2587278 0.80 GPR119 (0.43) LIPCLIPGCDK7CDK13CDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 — — US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 — — US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 — — US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 — — EP disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 — — EP disclosed
EP-2566860-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2013-03-13 — — EP disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 — — US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 — — US disclosed
WO-2011140160-A1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-10 — — 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 (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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 LIPC 1982/4885LIPG 1497/4885CDK7 2122/4885

“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.