SCHEMBL4728474

SCHEMBL4728474

Cn1nc2cc(C#N)ccc2c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
F11 P03951 1/20 0.41
PIN1 Q13526 1/20 0.40
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39
NEK2 P51955 1/20 0.39
LIMK1 P53667 1/20 0.39
CDK5 Q00535 1/20 0.39
DYRK1A Q13627 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CASP3 P42574 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
GRIA2 P42262 2/20 0.38
GRIA4 P48058 2/20 0.38
PPARA Q07869 1/20 0.37
ALB P02768 1/20 0.37
PHGDH O43175 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
SCHEMBL22536418 0.85 PDK1 (0.43) PDK1PDK2DYRK1A
SCHEMBL4730929 0.77 CDK5 (0.41) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL15902305 0.75 CASP3 (0.38) PDK1PDK2CHEK1CASP3GAA
SCHEMBL2133297 0.73 KDM4C (0.45)
SCHEMBL27359780 0.73 HCAR3 (0.47) SLC22A12
SCHEMBL4785086 0.73 PDK2 (0.46) PDK2F11PIN1CASP3SLC22A12
SCHEMBL1563562 0.73 KDM5A (0.48) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL2842932 0.72 MAPT (0.48) GAA
Methane SCHEMBL27733031 0.71 KDM5A (0.47) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL9231968 0.71 EGFR (0.47) F11CASP3GRIA2GRIA4ALB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070910-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2026-03-12 US disclosed
US-20240300952-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2024-09-12 US disclosed
CN-111655692-B Nitrogen-containing heterocyclic amide compound and medical application thereof 日本烟草产业株式会社 2023-10-10 CN disclosed
US-20210284644-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2021-09-16 US disclosed
US-20210284644-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2021-09-16 US disclosed
EP-3747888-A1 NITROGENATED HETEROCYCLIC AMIDE COMPOUND, AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco Inc. (JP) 2020-12-09 EP disclosed
US-10800784-B2 Nitrogen-containing heterocyclic amide compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2020-10-13 US disclosed
US-10800784-B2 Nitrogen-containing heterocyclic amide compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2020-10-13 US disclosed
CN-111655692-A Nitrogen-containing heterocyclic amide compound and medical application thereof 日本烟草产业株式会社 2020-09-11 CN disclosed
WO-2019151274-A1 NITROGENATED HETEROCYCLIC AMIDE COMPOUND, AND USE THEREOF FOR MEDICAL PURPOSES 日本たばこ産業株式会社 2019-08-08 WO disclosed
WO-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 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 (4 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-10800784-B2 Nitrogen-containing heterocyclic amide compound and pharmaceutical use thereof IDH2, PC, FH PDK1 52/4885PDK2 9/4885F11 1526/4885
US-20240300952-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF IDH2, PC, FH PDK1 52/4885PDK2 9/4885F11 1526/4885
US-20210284644-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF IDH2, PC, FH PDK1 52/4885PDK2 9/4885F11 1526/4885
US-20260070910-A1 NITROGEN-CONTAINING HETEROCYCLIC AMIDE COMPOUND AND PHARMACEUTICAL USE THEREOF PC, CS, IDH2 PDK1 54/4885PDK2 37/4885F11 1865/4885

“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.