SCHEMBL12234599

SCHEMBL12234599

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 15/20 0.40
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ SCD O00767 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL12234588 0.92 GPR119 (0.43) GPR119CYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL12234551 0.90 GPR119 (0.49) GPR119CYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL1550661 0.86 GPR119 (0.43) GPR119CYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL12234558 0.84 GPR119 (0.40) GPR119KCNH2SCD
SCHEMBL12234549 0.81 GPR119 (0.44) GPR119CYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL2544983 0.79 GPR119 (0.43) GPR119CYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL2539382 0.78 GPR119 (0.56) GPR119CYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL14237536 0.78 SCD (0.42) GPR119KCNH2SCD
SCHEMBL12234567 0.76 GPR119 (0.40) GPR119KCNH2SCD
SCHEMBL12234536 0.75 GPR119 (0.53) GPR119KCNH2

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 1/4885CYP1A2 1042/4885CYP2C19 525/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 GPR119 1/4885CYP1A2 1065/4885CYP2C19 535/4885

“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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