SCHEMBL26423641

SCHEMBL26423641

c1cnc2cc3sc4ncncc4c3cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
CASP6 P55212 1/20 0.36
IRAK4 Q9NWZ3 4/20 0.35
SYK P43405 2/20 0.35
AURKA O14965 1/20 0.35
MAP3K7 O43318 1/20 0.35
FLT3 P36888 1/20 0.35
ALDH1A1 P00352 5/20 0.35
CASP1 P29466 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR4A2 P43354 1/20 0.35

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
SCHEMBL26423631 0.94 NPC1 (0.37) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL26423557 0.83 EGFR (0.39) NPC1POLBRAB9AALDH1A1MEN1
SCHEMBL26423684 0.83 EGFR (0.39) EGFRPIK3CDPIK3CA
SCHEMBL26423589 0.83 NPC1 (0.42) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL26423687 0.82
SCHEMBL26423656 0.80 IRAK4 (0.42) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL26423602 0.79 NPC1 (0.39) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL26423595 0.77 NPC1 (0.42) NPC1POLBRAB9APDGFRBPDGFRA
SCHEMBL26423685 0.77 EGFR (0.39) EGFRPIK3CDPIK3CA
SCHEMBL26423635 0.77 HASPIN (0.40)

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 NPC1 2884/4885POLB 3866/4885RAB9A 2686/4885

“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.