SCHEMBL26423712

SCHEMBL26423712

c1cc2c(cn1)sc1cc3nccnc3nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
NCOA1 Q15788 2/20 0.33
NCOA3 Q9Y6Q9 2/20 0.33
CDK5 Q00535 2/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PAK4 O96013 1/20 0.32
ABL1 P00519 1/20 0.32
RET P07949 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
PRKACA P17612 1/20 0.32
FLT1 P17948 1/20 0.32
LTK P29376 1/20 0.32

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
SCHEMBL26423723 0.88 CYP2A6 (0.33) CYP2A6KDM4EALDH1A1HTTNCOA1
SCHEMBL26423715 0.79 CYP2A6 (0.33) CYP2A6KDM4EALDH1A1HTTNCOA1
SCHEMBL26423747 0.78 LATS1 (0.33) CYP2A6KDM4EALDH1A1HTTNCOA1
SCHEMBL26423722 0.78 CDK5 (0.33) CYP2A6KDM4EALDH1A1HTTNCOA1
SCHEMBL26423697 0.75 MAPK14 (0.38) KDM4EALDH1A1HTTNCOA1NCOA3
SCHEMBL26423605 0.74 ALDH1A1 (0.38) CYP2A6KDM4EALDH1A1HTTNCOA1
SCHEMBL26423708 0.73 LIMK1 (0.40) CYP2A6KDM4ELIMK1PIK3CACLK1
SCHEMBL26423491 0.73 TDO2 (0.33) CDK5CLK1CDK5R1
SCHEMBL26423721 0.72 LIMK1 (0.40) KDM4EALDH1A1HTTLIMK1PIK3CG
SCHEMBL26423500 0.71 CLK1 (0.31) DYRK1ACLK1

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 1228/4885KDM4E 2800/4885ALDH1A1 302/4885

“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.