SCHEMBL2544216

SCHEMBL2544216

Nc1nn(-c2ccc(Cl)c(Cl)c2)c(=O)cc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 6/20 0.38
▸ RPA1 P27694 2/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ HRH1 P35367 6/20 0.37
▸ CCR3 P51677 6/20 0.37
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 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
SCHEMBL2540908 0.90 KCNH2 (0.39) KCNH2RPA1NOTUMHRH1CCR3
SCHEMBL1550677 0.88 GAA (0.40) KCNH2HRH1CCR3
SCHEMBL2542457 0.87 NPBWR1 (0.51) —
SCHEMBL2546838 0.86 KCNH2 (0.39) KCNH2NOTUMHRH1CCR3EGFR
SCHEMBL2541877 0.85 BCAT1 (0.42) KCNH2RPA1NOTUMHRH1CCR3
SCHEMBL14237484 0.84 KCNH2 (0.35) KCNH2RPA1NOTUM
SCHEMBL2538676 0.84 SCD (0.42) —
SCHEMBL2547617 0.77 NPBWR1 (0.52) —
SCHEMBL1550872 0.76 NPBWR1 (0.50) —
SCHEMBL2546305 0.76 NPBWR1 (0.49) —

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 4 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-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 KCNH2 929/4885RPA1 3577/4885NOTUM 4858/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 KCNH2 869/4885RPA1 3736/4885NOTUM 4860/4885

“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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