SCHEMBL4064642

SCHEMBL4064642

COC(=O)Cc1cc(C)nc(C)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.48
PKM P14618 3/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 12/20 0.46
ALDH1A1 P00352 11/20 0.46
HPGD P15428 7/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4070239 0.86 HSD17B10 (0.46) HSD17B10PKMCYP1A2CYP2C19KDM4E
SCHEMBL4069316 0.86 RECQL (0.43) HSD17B10PKMCYP1A2CYP2C19KDM4E
SCHEMBL4073517 0.80 ADORA1 (0.48) PKMKDM4EALDH1A1HPGDGAA
SCHEMBL4069859 0.80 SQOR (0.50) HSD17B10CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL5816001 0.78 RECQL (0.58) HSD17B10CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL18977330 0.77 ALDH1A1 (0.46) HSD17B10KDM4EALDH1A1HPGDGAA
SCHEMBL4064564 0.75 ALDH1A1 (0.40) HSD17B10PKMCYP1A2CYP2C19KDM4E
SCHEMBL10932717 0.73 HSD17B10 (0.45) HSD17B10PKMCYP1A2CYP2C19KDM4E
SCHEMBL4062557 0.73 MAPT (0.41) HSD17B10PKMCYP1A2CYP2C19KDM4E
SCHEMBL4065406 0.73 KDM4E (0.46) HSD17B10KDM4EALDH1A1HPGDGAA

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 HSD17B10 3499/4885PKM 972/4885CYP1A2 161/4885

“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.