SCHEMBL26423717

SCHEMBL26423717

c1cc2sc3cc4cncnc4nc3c2cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.36
MKNK2 Q9HBH9 1/20 0.31
CLK1 P49759 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL26423722 0.88 CDK5 (0.33) CYP2A6MKNK2CLK1CDK5CDK5R1
SCHEMBL26423745 0.79 EGFR (0.33) CYP2A6
SCHEMBL26423740 0.79 CYP2A6 (0.36) CYP2A6MKNK2
SCHEMBL26423723 0.78 CYP2A6 (0.33) CYP2A6CLK1
SCHEMBL26423734 0.77 CLK1 (0.40) CYP2A6CLK1
SCHEMBL26423719 0.77 LIMK1 (0.40) CLK1
SCHEMBL22483136 0.76 CYP2A6 (0.33) CYP2A6CLK1CDK5CDK5R1
SCHEMBL26423675 0.75 EGFR (0.39) CYP2A6CLK1
SCHEMBL26423609 0.73 ALDH1A1 (0.38) CYP2A6CLK1
SCHEMBL26423660 0.72 EGFR (0.39) CYP2A6CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127291-A1 HETEROCYCLIC ARYLAMINE COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY PANEL WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-04-27 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-20230127291-A1 HETEROCYCLIC ARYLAMINE COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY PANEL OCIAD2, OCIAD1, AZI2 CYP2A6 1228/4885MKNK2 3788/4885CLK1 4489/4885

“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.