SCHEMBL2536186

SCHEMBL2536186

COC(=O)c1nn(-c2ccc(C#N)c(F)c2)c(=O)cc1OC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 11/20 0.46
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALK Q9UM73 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2A1 P68400 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
Hydrochloric Acid SCHEMBL2545048 0.99 KDM1A (0.45) KDM1ACYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL1550792 0.84 GPR119 (0.47) GPR119
SCHEMBL2538658 0.84 KDM1A (0.41) KDM1ASMN1; SMN2ALDH1A1ALKCHEK1
Hydrochloric Acid SCHEMBL2546008 0.83 KDM1A (0.41) KDM1ASMN1; SMN2ALDH1A1ALKCHEK1
SCHEMBL1550661 0.83 GPR119 (0.43) KDM1ACYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL2544983 0.83 GPR119 (0.43) KDM1ACYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL2539382 0.81 GPR119 (0.56) CYP1A2CYP2C19CYP2C9SMN1; SMN2GPR119
SCHEMBL2543018 0.79 ALDH1A1 (0.61) CYP1A2CYP2C19CYP2C9SMN1; SMN2KMT2A
SCHEMBL1549862 0.77 GPR119 (0.43) KDM1AGPR119
SCHEMBL14237483 0.76 GPR119 (0.49) 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 6 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
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
WO-2010009183-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 — — WO 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 KDM1A 2178/4885CYP1A2 1042/4885CYP2C19 525/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 KDM1A 2298/4885CYP1A2 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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