SCHEMBL14728841

SCHEMBL14728841

CCCc1cnc(N2CCC(Oc3nc4ncc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4s3)CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.41
CYP11B2 P19099 1/20 0.40
GPR119 Q8TDV5 12/20 0.40
CDK7 P50613 1/20 0.37
CDK13 Q14004 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
PDE4B Q07343 1/20 0.37
CDK9 P50750 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
SCHEMBL2594084 0.90 GPR119 (0.41) GPR119
SCHEMBL2587278 0.90 GPR119 (0.43) KITGPR119CDK7CDK13CDK12
SCHEMBL12178008 0.84 CYP11B2 (0.45) CYP11B2GPR119CDK7CDK13CDK12
SCHEMBL14718559 0.82 GPR119 (0.58) GPR119
SCHEMBL14728919 0.82 GPR119 (0.43) GPR119
SCHEMBL14728922 0.81 GPR119 (0.42) GPR119
SCHEMBL2594797 0.81 GPR119 (0.40) GPR119
SCHEMBL2588067 0.80 GPR119 (0.43) GPR119
SCHEMBL2592069 0.80 KIT (0.48) KITCYP11B2CDK7CDK13CDK12
SCHEMBL2593003 0.80 LIPG (0.43) KITGPR119CDK7CDK13CDK12

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 5 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
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 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

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 2652/4885CYP11B2 892/4885GPR119 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.