SCHEMBL4074987

SCHEMBL4074987

COC(=O)Cc1cc(C2CCCCC2)nc(OC)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CTSK P43235 3/20 0.39
CTSS P25774 2/20 0.39
TACR3 P29371 1/20 0.39
KDM4E B2RXH2 6/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 5/20 0.37
HSD17B10 Q99714 4/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 4/20 0.35
HTT P42858 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL4062641 0.82 CTSK (0.44) TSHRL3MBTL1TDP1MAPK8MAPK9
SCHEMBL4070239 0.78 HSD17B10 (0.46) TSHRMAPK8MAPK9KDM4EALDH1A1
SCHEMBL4068894 0.76 RECQL (0.55) TSHRMAPK8MAPK9CTSKCTSS
SCHEMBL4065725 0.76 MAPK8 (0.43) MAPK8MAPK9CTSKCTSSKDM4E
SCHEMBL4069790 0.75 MAPK8 (0.41) TSHRMAPK8MAPK9KDM4EALDH1A1
SCHEMBL4075279 0.74 SQOR (0.62) TSHRL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL15534790 0.70 ALDH1A1 (0.50) TSHRL3MBTL1TDP1CTSKCTSS
SCHEMBL4069316 0.68 RECQL (0.43) MAPK8MAPK9KDM4EALDH1A1HPGD
SCHEMBL4064642 0.67 HSD17B10 (0.48) TSHRL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL31284665 0.67 HSP90AB1 (0.46) TSHRL3MBTL1TDP1KDM4EALDH1A1

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 TSHR 4541/4885L3MBTL1 4883/4885TDP1 4050/4885

“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.