SCHEMBL2543568

SCHEMBL2543568

N#Cc1ccc(-n2nc(C#N)c(OC3CCN(C(=O)O)CC3)cc2=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CHEK1 O14757 2/20 0.36
▸ AR P10275 4/20 0.36
▸ SCD O00767 1/20 0.36
▸ BCAT1 P54687 1/20 0.35
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ S1PR4 O95977 1/20 0.32

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
SCHEMBL14237660 0.88 JAK3 (0.36) JAK3GPR119SMN1; SMN2CHEK1SCD
SCHEMBL2544042 0.88 GPR119 (0.53) GPR119
SCHEMBL14237555 0.85 CHEK1 (0.34) GPR119NPC1ALDH1A1MAPTOPRK1
SCHEMBL2546056 0.84 AR (0.44) NPC1ALDH1A1MAPTOPRK1HTT
SCHEMBL2541877 0.84 BCAT1 (0.42) NPC1ALDH1A1MAPTOPRK1HTT
Hydrochloric Acid SCHEMBL2539893 0.83 AR (0.44) NPC1ALDH1A1MAPTOPRK1HTT
SCHEMBL1551053 0.83 GPR119 (0.42) GPR119NPC1ALDH1A1MAPTOPRK1
SCHEMBL1550611 0.82 GPR119 (0.45) GPR119EPHX2
SCHEMBL1550309 0.82 GPR119 (0.43) GPR119KDM1A
SCHEMBL1549963 0.82 MAPT (0.38) NPC1ALDH1A1MAPTOPRK1HTT

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 5 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
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 JAK3 1256/4885GPR119 1/4885NPC1 2457/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 JAK3 1207/4885GPR119 1/4885NPC1 2365/4885

“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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