SCHEMBL21234769

SCHEMBL21234769

CN(CCC#N)c1cc2cc3cc(C=O)sc3cc2s1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.38

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
SCHEMBL21234929 0.87 CYP2A6 (0.33) CYP2A6
SCHEMBL21234896 0.81 CYP2A6 (0.44) CYP2A6
SCHEMBL21234738 0.80 ATM (0.35)
SCHEMBL21037848 0.80 CYP2A6 (0.43) CYP2A6
SCHEMBL21234764 0.75 CLK1 (0.41)
SCHEMBL21234717 0.72 APP (0.35)
SCHEMBL21234866 0.72 CYP2A6 (0.32) CYP2A6
SCHEMBL21234765 0.71 CYP2A6 (0.40) CYP2A6
SCHEMBL21234689 0.70 MAPT (0.36)
SCHEMBL12683402 0.70 CYP2A6 (0.61) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365203-B2 Fluorescent dye and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY LTD. (CN) 2022-06-21 US disclosed
US-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-08-08 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 (2 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-20190241584-A1 FLUORESCENT DYE AND PREPARATION METHOD AND USE THEREOF DNASE1, POLRMT, DCLRE1B CYP2A6 2814/4885
US-11365203-B2 Fluorescent dye and preparation method and use thereof DNASE1, POLRMT, DCLRE1B CYP2A6 2814/4885

“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.