SCHEMBL26423716

SCHEMBL26423716

c1cnc2c(c1)sc1nc3nccnc3cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
LIMK1 P53667 2/20 0.35
CLK1 P49759 1/20 0.35
KDM4E B2RXH2 4/20 0.33
CCR1 P32246 3/20 0.32
CCR8 P51685 3/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 2/20 0.32
GMNN O75496 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
CYP2D6 P10635 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
THPO P40225 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
SCHEMBL26423721 0.78 LIMK1 (0.40) LMNALIMK1CLK1KDM4ECCR1
SCHEMBL26423709 0.78 KDM4E (0.38) LMNALIMK1CLK1KDM4EMAPT
SCHEMBL26423608 0.77 CHEK2 (0.43) LMNALIMK1CLK1KDM4ECCR1
SCHEMBL26423703 0.76 LIMK1 (0.41) LMNALIMK1CLK1KDM4ECCR1
SCHEMBL26423708 0.76 LIMK1 (0.40) LMNALIMK1CLK1KDM4EMAPT
SCHEMBL26423744 0.75 LIMK1 (0.35) LMNALIMK1CLK1KDM4ECCR1
SCHEMBL26423725 0.75 KDM4E (0.36) LMNALIMK1CLK1KDM4ECCR1
SCHEMBL26423616 0.73 LMNA (0.43) LMNALIMK1CLK1KDM4ECCR1
SCHEMBL26423699 0.73 LIMK1 (0.41) LMNALIMK1CLK1KDM4ECCR1
SCHEMBL26423713 0.73 CYP2A6 (0.33) KDM4EHTTALDH1A1CYP2A6

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 LMNA 3202/4885LIMK1 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.