SCHEMBL4073012

SCHEMBL4073012

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

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 12/20 0.78
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 4/20 0.58
MAPT P10636 2/20 0.58
NPC1 O15118 1/20 0.58
GAA P10253 1/20 0.58
RECQL P46063 1/20 0.58
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL4071272 0.92 L3MBTL1 (0.80) SQORL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL22215650 0.88 SQOR (1.00) SQORL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL22208347 0.84 SQOR (0.86) SQORALDH1A1KDM4EMAPTNPC1
SCHEMBL29442436 0.84 SQOR (0.86) SQORALDH1A1KDM4EMAPTNPC1
SCHEMBL22208234 0.81 SQOR (1.00) SQORL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL29442283 0.81 SQOR (1.00) SQORL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL4064211 0.81 L3MBTL1 (0.71) SQORL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL22208232 0.80 SQOR (0.74) SQORALDH1A1KDM4EMAPTNPC1
SCHEMBL22208259 0.80 SQOR (0.84) SQORL3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL22208252 0.80 SQOR (0.84) SQORL3MBTL1ALDH1A1KDM4EMAPT

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 264/4885L3MBTL1 4883/4885ALDH1A1 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.