SCHEMBL26423725

SCHEMBL26423725

c1cnc2c(c1)sc1nc3cncnc3cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
LIMK1 P53667 2/20 0.35
CLK1 P49759 1/20 0.35
EGFR P00533 3/20 0.33
LMNA P02545 2/20 0.31
NPC1 O15118 2/20 0.31
HSP90AA1 P07900 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GMNN O75496 1/20 0.30
TP53 P04637 1/20 0.30
MMP2 P08253 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MMP9 P14780 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL26423744 0.81 LIMK1 (0.35) KDM4ELIMK1CLK1EGFRLMNA
SCHEMBL26423730 0.80 LIMK1 (0.36) KDM4ELIMK1CLK1EGFRLMNA
SCHEMBL26423746 0.80 LIMK1 (0.40) KDM4ELIMK1CLK1EGFRLMNA
SCHEMBL26423674 0.79 EGFR (0.38) KDM4ELIMK1CLK1EGFRLMNA
SCHEMBL26423737 0.78 CLK1 (0.40) KDM4ELIMK1CLK1EGFRLMNA
SCHEMBL24270401 0.77 LIMK1 (0.41) KDM4ELIMK1CLK1LMNANPC1
SCHEMBL26423726 0.77 CYP2A6 (0.33) EGFR
SCHEMBL26423732 0.77 LATS1 (0.33) KDM4ELIMK1EGFRALDH1A1HTT
SCHEMBL26423608 0.77 CHEK2 (0.43) KDM4ELIMK1CLK1LMNANPC1
SCHEMBL26423682 0.76 EGFR (0.38) KDM4ELIMK1CLK1EGFRLMNA

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 KDM4E 2800/4885LIMK1 1525/4885CLK1 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.