SCHEMBL12234591

SCHEMBL12234591

[C-]#[N+]c1ccc(-n2nc(C#N)c(OC3CCN(c4ncc(C(F)(F)F)cn4)CC3)cc2=O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 15/20 0.49
▸ KCNH2 Q12809 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ SCD O00767 3/20 0.34
▸ CTSK P43235 1/20 0.33

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
SCHEMBL12234567 0.91 GPR119 (0.40) GPR119KCNH2SCD
SCHEMBL12234558 0.91 GPR119 (0.40) GPR119KCNH2SCD
SCHEMBL2540198 0.89 GPR119 (0.51) GPR119KCNH2CHEK1SCDCTSK
SCHEMBL12234557 0.88 GPR119 (0.48) GPR119CHEK1SCD
SCHEMBL12234536 0.88 GPR119 (0.53) GPR119KCNH2
SCHEMBL1549889 0.85 GPR119 (0.55) GPR119KCNH2SCD
SCHEMBL2540894 0.84 GPR119 (0.50) GPR119CHEK1SCD
SCHEMBL2547658 0.82 GPR119 (0.67) GPR119KCNH2
SCHEMBL2538528 0.79 GPR119 (0.43) GPR119KCNH2SCD
SCHEMBL2539390 0.79 GPR119 (0.43) GPR119KCNH2SCD

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 1/4885KCNH2 929/4885CHEK1 3049/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 GPR119 1/4885KCNH2 869/4885CHEK1 3030/4885

“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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