SCHEMBL26423730

SCHEMBL26423730

c1cnc2sc3nc4cncnc4cc3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.36
CLK1 P49759 2/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
EGFR P00533 4/20 0.35
PDK1 Q15118 1/20 0.34
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
PIK3CA P42336 2/20 0.33
CYP2A6 P11509 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
TDO2 P48775 2/20 0.32
LMNA P02545 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
SCHEMBL26423737 0.80 CLK1 (0.40) LIMK1CLK1CDC7DBF4EGFR
SCHEMBL26423725 0.80 KDM4E (0.36) LIMK1CLK1EGFRKDM4EMAPT
SCHEMBL26423739 0.79 LIMK1 (0.36) LIMK1CLK1CDC7DBF4EGFR
SCHEMBL26423677 0.78 EGFR (0.38) LIMK1CLK1CDC7DBF4EGFR
SCHEMBL24270403 0.77 LIMK1 (0.44) LIMK1CLK1CDC7DBF4EGFR
SCHEMBL26423726 0.77 CYP2A6 (0.33) EGFRCYP2A6
SCHEMBL26423732 0.77 LATS1 (0.33) LIMK1EGFRCYP2A6KDM4EALDH1A1
SCHEMBL26423567 0.75 ALDH1A1 (0.42) LIMK1CLK1CDC7DBF4PDK1
SCHEMBL26423709 0.74 KDM4E (0.38) LIMK1CLK1CDC7DBF4PDK1
SCHEMBL4903332 0.73 LIMK1 (0.50) LIMK1CLK1CDC7DBF4PDK1

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 4489/4885CDC7 1258/4885

“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.