SCHEMBL26423744

SCHEMBL26423744

c1cnc2c(c1)sc1nc3ncncc3cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.35
CLK1 P49759 1/20 0.35
HSP90AA1 P07900 2/20 0.31
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
KDM4E B2RXH2 2/20 0.31
EGFR P00533 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 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
MAPT P10636 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

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
SCHEMBL26423725 0.81 KDM4E (0.36) LIMK1CLK1HSP90AA1NPC1L3MBTL1
SCHEMBL26423739 0.80 LIMK1 (0.36) LIMK1CLK1NPC1METAP2METAP1
SCHEMBL26423719 0.80 LIMK1 (0.40) LIMK1CLK1HSP90AA1NPC1L3MBTL1
SCHEMBL26423734 0.78 CLK1 (0.40) LIMK1CLK1HSP90AA1NPC1L3MBTL1
SCHEMBL24270401 0.77 LIMK1 (0.41) LIMK1CLK1HSP90AA1NPC1L3MBTL1
SCHEMBL26423740 0.77 CYP2A6 (0.36)
SCHEMBL26423742 0.77 CYP2A6 (0.33) LIMK1CLK1KDM4EHTT
SCHEMBL26423682 0.76 EGFR (0.38) LIMK1CLK1HSP90AA1NPC1L3MBTL1
SCHEMBL26423716 0.75 LMNA (0.37) LIMK1CLK1HSP90AA1NPC1L3MBTL1
SCHEMBL26423608 0.74 CHEK2 (0.43) LIMK1CLK1HSP90AA1NPC1L3MBTL1

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 LIMK1 1525/4885CLK1 4489/4885HSP90AA1 3198/4885

“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.