SCHEMBL12234557

SCHEMBL12234557

[C-]#[N+]c1ccc(-n2nc(C#N)c(OC3CCN(c4ncc(C(F)(F)F)cn4)CC3)cc2=O)cn1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 14/20 0.48
▸ CHEK1 O14757 1/20 0.36
▸ SCD O00767 3/20 0.35
▸ AR P10275 2/20 0.35
▸ NR3C1 P04150 1/20 0.35

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
SCHEMBL2540894 0.89 GPR119 (0.50) GPR119CHEK1SCDARNR3C1
SCHEMBL12234553 0.89 GPR119 (0.42) GPR119AR
SCHEMBL12234591 0.88 GPR119 (0.49) GPR119CHEK1SCD
SCHEMBL1549889 0.85 GPR119 (0.55) GPR119SCD
SCHEMBL2540198 0.85 GPR119 (0.51) GPR119CHEK1SCD
SCHEMBL2547658 0.84 GPR119 (0.67) GPR119
SCHEMBL14693050 0.79 GPR119 (0.50) GPR119SCD
SCHEMBL12234552 0.79 GPR119 (0.45) GPR119
SCHEMBL12234567 0.78 GPR119 (0.40) GPR119SCD
SCHEMBL14693056 0.78 GPR119 (0.59) 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 1/4885CHEK1 3049/4885SCD 4268/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 GPR119 1/4885CHEK1 3030/4885SCD 4263/4885

“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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