SCHEMBL2592069

SCHEMBL2592069

CC(C)(C)OC(=O)N1CC=C(c2ccc3nc(OC4CCN(c5ncc(F)cn5)CC4)sc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.48
PIK3CA P42336 1/20 0.42
CDK7 P50613 1/20 0.42
CDK13 Q14004 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
CDK9 P50750 4/20 0.41
LIPC P11150 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
GRM5 P41594 2/20 0.41
GRM1 Q13255 2/20 0.41
PDE10A Q9Y233 1/20 0.40
ENPP2 Q13822 1/20 0.40
BRD4 O60885 1/20 0.40
CCNT1 O60563 1/20 0.40
NAMPT P43490 1/20 0.40
JAK1 P23458 1/20 0.39
CYP11B2 P19099 1/20 0.39
DYRK2 Q92630 1/20 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
SCHEMBL2587278 0.90 GPR119 (0.43) KITPIK3CACDK7CDK13CDK12
SCHEMBL2587288 0.90 SCD (0.42) KIT
SCHEMBL12178017 0.86 CDK7 (0.42) KITPIK3CACDK7CDK13CDK12
SCHEMBL14729047 0.84 GPR119 (0.42) CDK9CCNT1
SCHEMBL2594545 0.84 CDK7 (0.47) PIK3CACDK7CDK13CDK12LIPC
SCHEMBL2594647 0.84 CDK7 (0.42) KITPIK3CACDK7CDK13CDK12
SCHEMBL14729113 0.83 CDK7 (0.47) PIK3CACDK7CDK13CDK12LIPC
SCHEMBL14729024 0.82 GPR119 (0.47) KIT
SCHEMBL14728922 0.82 GPR119 (0.42) NAMPT
SCHEMBL2587557 0.81 GPR119 (0.38) CDK9CCNT1

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 10 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-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 KIT 2652/4885PIK3CA 2569/4885CDK7 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.