SCHEMBL26423682

SCHEMBL26423682

c1cnc2c(c1)sc1cc3ncncc3cc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.38
LIMK1 P53667 3/20 0.36
CLK1 P49759 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TDO2 P48775 2/20 0.33
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AURKA O14965 1/20 0.31
MAP3K7 O43318 1/20 0.31
FLT3 P36888 1/20 0.31
SYK P43405 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL26423674 0.94 EGFR (0.38) EGFRLIMK1CLK1PIK3CDPIK3CA
SCHEMBL26423607 0.83 LMNA (0.43) LIMK1CLK1KDM4ELMNANPC1
SCHEMBL26423656 0.83 IRAK4 (0.42) LMNANPC1AURKAMAP3K7FLT3
SCHEMBL19758397 0.81 EGFR (0.44) EGFRPIK3CDPIK3CATDO2L3MBTL1
SCHEMBL26423692 0.79 EGFR (0.36) EGFRPIK3CDPIK3CA
SCHEMBL26423606 0.79 CLK1 (0.39) LIMK1CLK1
SCHEMBL26423617 0.79 CLK1 (0.39) LIMK1CLK1
SCHEMBL26423746 0.78 LIMK1 (0.40) EGFRLIMK1CLK1PIK3CDPIK3CA
SCHEMBL26423616 0.77 LMNA (0.43) LIMK1CLK1KDM4ELMNANPC1
SCHEMBL26423649 0.77 IRAK4 (0.42) LMNANPC1AURKAMAP3K7FLT3

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 EGFR 1270/4885LIMK1 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.