SCHEMBL14729109

SCHEMBL14729109

Cc1cc(C)nc(N2CCC(Oc3nc4ccc(-c5ccc(S(C)(=O)=O)cc5)cc4s3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
USP2 O75604 2/20 0.50
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.50
RECQL P46063 1/20 0.50
GPR119 Q8TDV5 10/20 0.45
KMT2A Q03164 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CLK1 P49759 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL14729106 0.89 GPR119 (0.51) GPR119
SCHEMBL14729110 0.89 GPR119 (0.49) ALDH1A1USP2HSD17B10LMNARECQL
SCHEMBL14729112 0.85 GPR119 (0.56) GPR119
SCHEMBL2591328 0.85 GPR119 (0.58) GPR119
SCHEMBL14729103 0.85 PIK3CD (0.41) ALDH1A1USP2HSD17B10LMNARECQL
SCHEMBL14729107 0.85 HRH3 (0.39) ALDH1A1USP2HSD17B10LMNARECQL
SCHEMBL14729077 0.84 GPR119 (0.58) GPR119
SCHEMBL14729200 0.83 GPR119 (0.52) GPR119PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL14729098 0.83 PIK3CD (0.40) ALDH1A1USP2HSD17B10LMNARECQL
SCHEMBL2591259 0.82 GPR119 (0.43) ALDH1A1USP2HSD17B10LMNARECQL

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 ALDH1A1 2991/4885USP2 3247/4885HSD17B10 2185/4885

“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.