SCHEMBL12234561

SCHEMBL12234561

[C-]#[N+]c1ccc(-n2nc(C#N)c(OC3CCN(C(=O)OC(C)C)CC3)cc2=O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 19/20 0.47
▸ CYP2C9 P11712 2/20 0.39
▸ PDE4B Q07343 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL12234554 0.89 GPR119 (0.42) GPR119PDE4B
SCHEMBL1550702 0.89 GPR119 (0.58) GPR119CYP2C9PDE4B
SCHEMBL2542644 0.81 GPR119 (0.59) GPR119CYP2C9
SCHEMBL12234558 0.79 GPR119 (0.40) GPR119KCNH2
SCHEMBL12234567 0.79 GPR119 (0.40) GPR119KCNH2
SCHEMBL12234536 0.78 GPR119 (0.53) GPR119KCNH2
SCHEMBL12234591 0.78 GPR119 (0.49) GPR119KCNH2
SCHEMBL2544987 0.78 GPR119 (0.50) GPR119
SCHEMBL2536248 0.77 GPR119 (0.44) GPR119PDE4B
SCHEMBL1550309 0.77 GPR119 (0.43) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 1/4885CYP2C9 1301/4885PDE4B 815/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 GPR119 1/4885CYP2C9 1293/4885PDE4B 763/4885

“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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