SCHEMBL2539390

SCHEMBL2539390

N#Cc1ccc(-n2nc(C#N)c(OC3CCN(c4ncc(I)cn4)CC3)cc2=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.43
▸ KCNH2 Q12809 1/20 0.37
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ CHRM4 P08173 2/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ SCD O00767 1/20 0.34
▸ GPR6 P46095 2/20 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
SCHEMBL2538528 0.92 GPR119 (0.43) GPR119KCNH2IDO1TDO2CHRM4
SCHEMBL2540198 0.90 GPR119 (0.51) GPR119KCNH2IDO1TDO2TBK1
SCHEMBL12234567 0.89 GPR119 (0.40) GPR119KCNH2SCDGPR6
SCHEMBL2545041 0.88 GPR119 (0.59) GPR119KCNH2
SCHEMBL2542106 0.86 GPR119 (0.44) GPR119KCNH2SCD
SCHEMBL1551053 0.85 GPR119 (0.42) GPR119KCNH2
SCHEMBL12234553 0.83 GPR119 (0.42) GPR119KCNH2
SCHEMBL1550301 0.83 GPR119 (0.56) GPR119KCNH2
SCHEMBL2536196 0.82 GPR119 (0.51) GPR119KCNH2SCDGPR6
SCHEMBL14693053 0.82 GPR119 (0.43) GPR119KCNH2SCDGPR6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP claimed
US-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — US disclosed
US-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — US disclosed
US-8372837-B2 Pyridone and pyridazone analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 — — US disclosed
US-8372837-B2 Pyridone and pyridazone analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 — — US disclosed
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP disclosed
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 — — US disclosed
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 — — 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 (2 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-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 GPR119 1/4885KCNH2 929/4885IDO1 1329/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 GPR119 1/4885KCNH2 869/4885IDO1 1311/4885

“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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