SCHEMBL1450900

SCHEMBL1450900

CN(C)C(=O)c1ccc(Nc2ncnc3c2OCCN3C2CCN(C(=O)O)CC2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 3/20 0.39
▸ CDK2 P24941 3/20 0.38
▸ TTK P33981 2/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ ERBB2 P04626 3/20 0.36
▸ WDR5 P61964 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RET P07949 1/20 0.36
▸ LRRK2 Q5S007 4/20 0.35
▸ VNN1 O95497 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL1449783 0.89 LRRK2 (0.37) GPR119ERBB2RETLRRK2VNN1
SCHEMBL1449731 0.89 GPR119 (0.39) GPR119TTKRETLRRK2VNN1
SCHEMBL11913073 0.89 GPR119 (0.41) GPR119CDK2CYP2C9
SCHEMBL4572371 0.89 AURKA (0.44) GPR119CDK2TTKCCNA2RET
SCHEMBL1450288 0.89 GPR119 (0.37) GPR119ERBB2RETLRRK2VNN1
SCHEMBL1449853 0.85 RET (0.36) GPR119ERBB2RETVNN1EGFR
SCHEMBL1450043 0.85 GPR119 (0.42) GPR119TTKRETLRRK2CYP2C9
SCHEMBL1449598 0.84 GPR119 (0.47) GPR119
SCHEMBL1450052 0.83 HPGD (0.42) ERBB2WDR5KMT2AAURKAALDH1A1
SCHEMBL1449701 0.82 ERBB2 (0.44) ERBB2WDR5KMT2AAURKAALDH1A1

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-8513265-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 — — US disclosed
US-20130116237-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 — — US disclosed
US-8314095-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 — — US disclosed
US-20120202790-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 — — US disclosed
EP-2144902-B1 [6,6]AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-05-16 — — EP disclosed
US-8076322-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-13 — — US disclosed
US-20110136783-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-06-09 — — US disclosed
US-7910583-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 — — US disclosed
EP-2144902-A1 [6,6]AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-01-20 — — EP disclosed
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 — — US disclosed
WO-2008137435-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-13 — — 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 (4 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-20110136783-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 GPR119 1/4885CDK2 1030/4885TTK 2268/4885
US-20130116237-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 GPR119 1/4885CDK2 1030/4885TTK 2268/4885
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 GPR119 1/4885CDK2 1030/4885TTK 2268/4885
US-20120202790-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 GPR119 1/4885CDK2 1030/4885TTK 2268/4885

“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.

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