SCHEMBL4064383

SCHEMBL4064383

Cc1cc(CCO)c(C#N)c(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ADORA1 P30542 15/20 0.46
ADORA2A P29274 11/20 0.46
ADORA2B P29275 2/20 0.44
SQOR Q9Y6N5 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHUK O15111 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CLK2 P49760 1/20 0.41
MAPK10 P53779 1/20 0.41
ITK Q08881 1/20 0.41

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
SCHEMBL4073517 0.78 ADORA1 (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2ADORA1
SCHEMBL4064788 0.78 ADORA1 (0.51) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4067048 0.77 CYP1A2 (0.65) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4067341 0.77 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4065406 0.77 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4062552 0.72 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL4064410 0.72 SQOR (0.71) ALDH1A1KDM4EHPGDSQOR
SCHEMBL6788358 0.69 CYP2C19 (0.56) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL31350615 0.69 HPGD (0.68) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL14176622 0.68 KDM4E (0.77) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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 ALDH1A1 1008/4885KDM4E 405/4885HPGD 72/4885

“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.