SCHEMBL2546607

SCHEMBL2546607

NC(=O)c1nn(-c2ccc(Br)c(F)c2)c(=O)cc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SCD O00767 6/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PDE4B Q07343 3/20 0.33
▸ MYC P01106 2/20 0.33
▸ WDR5 P61964 2/20 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
SCHEMBL2540906 0.88 GPR119 (0.45) SMN1; SMN2PDE4B
SCHEMBL1549862 0.86 GPR119 (0.43) —
SCHEMBL2542089 0.84 GPR119 (0.34) SMN1; SMN2RAB9ASCDIKBKB
SCHEMBL1550677 0.84 GAA (0.40) KMT2ASMN1; SMN2RAB9ACNR1GAA
SCHEMBL2546749 0.83 FPR2 (0.37) SMN1; SMN2CNR1SCD
SCHEMBL14237487 0.81 GPR119 (0.45) SMN1; SMN2PDE4B
SCHEMBL1549998 0.80 ALDH1A1 (0.41) KMT2ASMN1; SMN2SCDTDP1
SCHEMBL1551079 0.80 GPR119 (0.46) —
SCHEMBL2539976 0.78 GPR119 (0.46) SMN1; SMN2PDE4B
SCHEMBL14237660 0.78 JAK3 (0.36) KMT2ASMN1; SMN2SCDPDE4B

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
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
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP 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 KMT2A 3211/4885SMN1; SMN2 2820/4885RAB9A 1722/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 KMT2A 3266/4885SMN1; SMN2 2854/4885RAB9A 1599/4885

“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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