SCHEMBL4063554

SCHEMBL4063554

Nc1nc(-c2ccccc2)cc2c1C(=O)OCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
ADORA1 P30542 7/20 0.41
ADORA2A P29274 6/20 0.41
XDH P47989 2/20 0.41
ADORA3 P0DMS8 1/20 0.39
DYRK1A Q13627 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
KDM4E B2RXH2 4/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL4066864 0.83 ALDH1A1 (0.39) PDE4BXDHALDH1A1HPGDMEN1
SCHEMBL4067298 0.83 ALDH1A1 (0.41) PDE4BADORA1ADORA2AXDHALDH1A1
SCHEMBL4067545 0.83 PDE4B (0.37) PDE4BADORA1ADORA2AXDHALDH1A1
Hydrochloric Acid SCHEMBL4247459 0.82 PDE4B (0.36) PDE4BADORA1ADORA2AXDHALDH1A1
SCHEMBL4064580 0.80 SQOR (0.47) PDE4BADORA1ALDH1A1HPGDMEN1
SCHEMBL4068979 0.80 XDH (0.45) PDE4BADORA1ADORA2AXDHADORA3
SCHEMBL4068876 0.80 TDP1 (0.41) PDE4BADORA2AXDHALDH1A1HPGD
SCHEMBL4248277 0.78 HSD17B10 (0.45) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL4064270 0.77 HSD17B10 (0.51) ALDH1A1HPGDMAPTKMT2ALMNA
SCHEMBL4067394 0.77 HSD17B10 (0.47) ALDH1A1HPGDKMT2ALMNAHSD17B10

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 8 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
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
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
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 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 PDE4B 123/4885ADORA1 191/4885ADORA2A 281/4885

“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.