SCHEMBL26423701

SCHEMBL26423701

c1cnc2c(c1)sc1nc3ccncc3nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.38
CLK1 P49759 1/20 0.38
NPC1 O15118 5/20 0.35
RAB9A P51151 4/20 0.35
KDM4E B2RXH2 6/20 0.33
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.32
HSP90AA1 P07900 2/20 0.32
GMNN O75496 1/20 0.32
MMP2 P08253 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
MMP8 P22894 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
SCHEMBL26423702 1.00 LIMK1 (0.38) LIMK1CLK1NPC1RAB9AKDM4E
SCHEMBL26423669 0.85 LIMK1 (0.42) LIMK1CLK1NPC1RAB9AKDM4E
SCHEMBL26423696 0.80 LIMK1 (0.41) LIMK1CLK1NPC1KDM4EHTT
SCHEMBL26423707 0.78 CYP2A6 (0.33) CLK1KDM4EHTTALDH1A1NCOA1
SCHEMBL26423693 0.78 CYP2A6 (0.33) CLK1KDM4EHTTALDH1A1NCOA1
SCHEMBL26423699 0.76 LIMK1 (0.41) LIMK1CLK1NPC1RAB9AKDM4E
SCHEMBL26423703 0.76 LIMK1 (0.41) LIMK1CLK1NPC1RAB9AKDM4E
SCHEMBL23327872 0.72 LMNA (0.44) LIMK1CLK1NPC1RAB9AKDM4E
SCHEMBL26423746 0.72 LIMK1 (0.40) LIMK1CLK1NPC1RAB9AKDM4E
SCHEMBL26423665 0.71 NPC1 (0.38) CLK1NPC1RAB9AKDM4EHTT

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 4489/4885NPC1 2884/4885

“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.