SCHEMBL4065502

SCHEMBL4065502

Cc1nc(-c2cccs2)cc2c1C(=O)OCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 6/20 0.40
GAA P10253 5/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CASP1 P29466 3/20 0.40
GLA P06280 2/20 0.40
TP53 P04637 2/20 0.40
CASP7 P55210 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RPS6KB2 Q9UBS0 1/20 0.38

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
SCHEMBL4246231 0.80 RPS6KB2 (0.44) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4066864 0.79 ALDH1A1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL4063729 0.75 PDE10A (0.38) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4063497 0.74 KDM4E (0.44) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL4749025 0.73 PIK3CA (0.39)
SCHEMBL4073028 0.73 APP (0.36) KDM4EALDH1A1HPGDGLAHSD17B10
SCHEMBL4750253 0.73 BRD4 (0.46) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL4481191 0.72 ALDH1A1 (0.46) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4067976 0.72 MAOA (0.40) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL4072428 0.72 MAOA (0.43) KDM4EALDH1A1GAAHPGDSMN1; 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 12 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 claimed
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 claimed
WO-2008123756-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTON TYPE PYRIDINE DERIVATIVES AS AN EFFECTIVE INGREDIENT FOR THE PREVENTION AND TREATMENT OF ISCHEMIA SK CHEMICALS CO., LTD. (KR) 2008-10-16 WO claimed
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 claimed
JP-2007517024-A 2007-06-28 JP claimed
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 claimed
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 claimed
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 KDM4E 405/4885ALDH1A1 1008/4885GAA 3796/4885

“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.