SCHEMBL4071971

SCHEMBL4071971

O=C1NC(c2ccccc2)Cc2ccncc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.54
PKN2 Q16513 1/20 0.54
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.40
LDHA P00338 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
CDC7 O00311 1/20 0.39
TNKS2 Q9H2K2 2/20 0.38
PRCP P42785 1/20 0.38
LDHB P07195 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LRRK2 Q5S007 2/20 0.37
BRD4 O60885 1/20 0.37
DYRK1A Q13627 1/20 0.36
MEN1 O00255 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
SCHEMBL3890285 0.82 TSHR (0.50) PKN1PKN2CYP19A1ALDH1A1KDM4E
SCHEMBL4246907 0.80 PKN1 (0.39) PKN1PKN2ALDH1A1LDHAMAPT
SCHEMBL26703813 0.75 MEN1 (0.44) PKN1PKN2ALDH1A1KDM4EMAPT
SCHEMBL6124153 0.73 TSHR (0.53) PKN1PKN2ALDH1A1TSHRLDHA
SCHEMBL4067652 0.72 ALDH1A1 (0.51) CYP19A1ALDH1A1KDM4EHSD17B10LDHA
SCHEMBL4791535 0.70 PKN1 (1.00) PKN1PKN2CDC7LRRK2DYRK1A
SCHEMBL4771553 0.70 PKN1 (1.00) PKN1PKN2CDC7LRRK2DYRK1A
SCHEMBL148437 0.70 CA12 (0.55) CDC7MAOAMAOB
SCHEMBL29923296 0.70 TSHR (0.49) PKN1PKN2CYP19A1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7086048 0.69 CA12 (0.53) CDC7MAOAMAOB

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 9 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
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 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-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
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 PKN1 2640/4885PKN2 2393/4885CYP19A1 2060/4885

“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.