SCHEMBL2546056

SCHEMBL2546056

N#Cc1ccc(-n2nc(C#N)c(OC3CCNCC3)cc2=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.44
▸ NPC1 O15118 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CHEK1 O14757 5/20 0.38
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ BCAT1 P54687 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ AGTR1 P30556 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
Hydrochloric Acid SCHEMBL2539893 0.99 AR (0.44) ARNPC1ALDH1A1MAPTOPRK1
SCHEMBL2543568 0.84 JAK3 (0.37) ARNPC1ALDH1A1MAPTOPRK1
SCHEMBL2542655 0.82 AR (0.45) ARNPC1ALDH1A1MAPTOPRK1
SCHEMBL1551053 0.82 GPR119 (0.42) ARNPC1ALDH1A1MAPTOPRK1
Hydrochloric Acid SCHEMBL2544811 0.82 AR (0.44) ARNPC1ALDH1A1MAPTOPRK1
SCHEMBL2540921 0.81 GPR119 (0.43) ARNPC1ALDH1A1MAPTOPRK1
SCHEMBL2538658 0.81 KDM1A (0.41) ARNPC1ALDH1A1MAPTOPRK1
Hydrochloric Acid SCHEMBL2542617 0.80 GPR119 (0.42) ARNPC1ALDH1A1MAPTOPRK1
SCHEMBL2543578 0.80 AR (0.36) ARNPC1ALDH1A1MAPTOPRK1
Hydrochloric Acid SCHEMBL2546008 0.80 KDM1A (0.41) ARNPC1ALDH1A1MAPTOPRK1

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 AR 478/4885NPC1 2457/4885ALDH1A1 1093/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 AR 481/4885NPC1 2365/4885ALDH1A1 1153/4885

“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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