SCHEMBL2594545

SCHEMBL2594545

CC(C)(C)OC(=O)N1CC=C(c2ccc3nc(OC4CCNCC4)sc3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 1/20 0.47
CDK13 Q14004 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
JAK1 P23458 1/20 0.45
LIPC P11150 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
NAMPT P43490 1/20 0.44
BRD4 O60885 1/20 0.42
KDM1A O60341 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
CHEK2 O96017 1/20 0.41
TNK2 Q07912 1/20 0.41
PIK3CA P42336 1/20 0.41
GRM1 Q13255 4/20 0.41
GRM5 P41594 3/20 0.41
PDK4 Q16654 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
PDE10A Q9Y233 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRP O00591 1/20 0.40

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
SCHEMBL14718387 0.88 QDPR (0.36) CDK7CDK13CDK12LIPCLIPG
SCHEMBL14729113 0.86 CDK7 (0.47) CDK7CDK13CDK12JAK1LIPC
SCHEMBL12178008 0.86 CYP11B2 (0.45) CDK7CDK13CDK12JAK1LIPC
SCHEMBL2594647 0.86 CDK7 (0.42) CDK7CDK13CDK12JAK1LIPC
SCHEMBL12178006 0.84 NAMPT (0.44) CDK7CDK13CDK12JAK1LIPC
SCHEMBL2592069 0.84 KIT (0.48) CDK7CDK13CDK12JAK1LIPC
SCHEMBL12178017 0.84 CDK7 (0.42) CDK7CDK13CDK12JAK1LIPC
SCHEMBL2587381 0.84 LIPC (0.44) CDK7CDK13CDK12JAK1LIPC
SCHEMBL2587278 0.82 GPR119 (0.43) CDK7CDK13CDK12JAK1LIPC
SCHEMBL2595458 0.81 CDK7 (0.43) CDK7CDK13CDK12JAK1LIPC

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 11 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
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
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 CDK7 2122/4885CDK13 3045/4885CDK12 3837/4885

“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.