SCHEMBL17918751

SCHEMBL17918751

CNC(=O)Cc1cnc(C)o1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 5/20 0.38
CDK2 P24941 5/20 0.38
GSK3B P49841 2/20 0.38
DRD3 P35462 12/20 0.35
DRD2 P14416 9/20 0.35
FEN1 P39748 1/20 0.34
VHL P40337 1/20 0.34
PIK3CG P48736 1/20 0.33

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
SCHEMBL27326920 0.83 NR4A2 (0.43)
SCHEMBL10150924 0.83 CCNE1 (0.41) CCNE1CDK2GSK3BDRD3DRD2
SCHEMBL682873 0.79 HSD17B10 (0.41) CCNE1CDK2GSK3BFEN1PIK3CG
SCHEMBL873455 0.79 HSP90AB1 (0.38) CCNE1CDK2GSK3BFEN1
SCHEMBL17916146 0.78 CCNE2 (0.44) CCNE1CDK2PIK3CG
SCHEMBL22723931 0.78 HTT (0.40) CCNE1CDK2GSK3BFEN1PIK3CG
SCHEMBL27368805 0.76 NR4A2 (0.35) CCNE1CDK2
SCHEMBL23331071 0.71 CCNE1 (0.42) CCNE1CDK2GSK3BDRD3DRD2
SCHEMBL21578172 0.71
SCHEMBL8532973 0.69 ALDH1A1 (0.45) DRD3DRD2FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3564239-B9 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN INC (US) 2023-04-19 EP disclosed
WO-2022135365-A1 DISUBSTITUTED CYCLOPENTANE KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-30 WO disclosed
EP-3564239-A1 ARYL HYDROCARBON RECEPTOR MODULATOR Shenzhen Immunova Pharmaceutical Co., Ltd. (CN) 2019-11-06 EP disclosed
US-9695182-B2 Chemical compounds (derivatives) and their application for the treatment of oncological diseases LIMITED LIABILITY COMPANY “NATIONAL PHARMACEUTICAL TECHNOLOGIES” (RU) 2017-07-04 US disclosed
US-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES LIMITED LIABILITY COMPANY (RU) 2016-07-14 US 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-20160200729-A1 NEW CHEMICAL COMPOUNDS (DERIVATIVES) AND THEIR APPLICATION FOR THE TREATMENT OF ONCOLOGICAL DISEASES BRAF, CNKSR1, RAF1 CCNE1 406/4885CDK2 33/4885GSK3B 111/4885

“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.