SCHEMBL4064410

SCHEMBL4064410

COc1nc(-c2ccccc2)cc(CCO)c1C#N

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 15/20 0.71
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
PIM1 P11309 2/20 0.48
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL22215650 0.83 SQOR (1.00) SQORKDM4EALDH1A1MAPTNPC1
SCHEMBL4064788 0.83 ADORA1 (0.51) SQORKDM4EALDH1A1PIM1HPGD
SCHEMBL4075279 0.81 SQOR (0.62) SQORKDM4EALDH1A1MAPTNPC1
SCHEMBL29442393 0.79 SQOR (0.84) SQORKDM4EALDH1A1MAPTNPC1
SCHEMBL22208252 0.79 SQOR (0.84) SQORKDM4EALDH1A1MAPTNPC1
SCHEMBL4062552 0.78 ALDH1A1 (0.48) SQORKDM4EALDH1A1GAAHPGD
SCHEMBL4073012 0.78 SQOR (0.78) SQORKDM4EALDH1A1MAPTNPC1
SCHEMBL22208234 0.77 SQOR (1.00) SQORKDM4EALDH1A1MAPTNPC1
SCHEMBL22208347 0.77 SQOR (0.86) SQORKDM4EALDH1A1MAPTNPC1
SCHEMBL29442436 0.77 SQOR (0.86) SQORKDM4EALDH1A1MAPTNPC1

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
US-7601736-B2 Such as 3,4-dihydro-pyrano[3,4-c]pyridine-1-on; cytokine suppressive antiinflammatory drugs; analgesics SK CHEMICALS CO., LTD. (KR) 2009-10-13 US disclosed
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
US-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same SK CHEMICALS CO., LTD. (KR) 2007-11-01 US disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 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 (1 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-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same IL5, IL1B, P2RY4 SQOR 264/4885KDM4E 405/4885ALDH1A1 1008/4885

“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.