SCHEMBL4245537

SCHEMBL4245537

Cc1nc(-c2ccccc2)cc2ccn(Cc3ccccc3)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.51
BRD4 O60885 5/20 0.48
EGLN1 Q9GZT9 1/20 0.47
PDE5A O76074 7/20 0.44
ADORA1 P30542 2/20 0.44
MAPK14 Q16539 1/20 0.43
PDE6D O43924 3/20 0.42
PDE6A P16499 3/20 0.42
PDE6G P18545 3/20 0.42
PDE6B P35913 3/20 0.42
PDE6C P51160 3/20 0.42
PDE6H Q13956 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA2B P29275 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4750229 0.87 CYP19A1 (0.45) ADORA2APDE5AKDM4EALDH1A1
SCHEMBL4248495 0.80 ALDH1A1 (0.47) BRD4PDE5AADORA1PDE6DPDE6A
SCHEMBL4747892 0.76 ALDH1A1 (0.42) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5816274 0.74 ALDH1A1 (0.43) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL27806130 0.72 KDM4E (0.45) ADORA2ABRD4EGLN1PDE5AMAPK14
SCHEMBL4747889 0.72 ALDH1A1 (0.40) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5816238 0.72 ALDH1A1 (0.40) KDM4EALDH1A1
SCHEMBL4751098 0.70 GRM2 (0.38) ALDH1A1PKMHSD17B10
SCHEMBL4750651 0.69 ALDH1A1 (0.43) ADORA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL27806140 0.69 KDM4E (0.42) ADORA2AEGLN1PDE5AMAPK14KDM4E

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
WO-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 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
WO-2008123755-A1 A PHARMACEUTICAL COMPOSITIONS CONTAINING LACTAM 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
WO-2006112666-A1 PYRIDINE DERIVATIVES, METHODS OF THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SK CHEMICALS CO., LTD. (KR) 2006-10-26 WO 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 ADORA2A 281/4885BRD4 198/4885EGLN1 1589/4885

“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.