SCHEMBL25868145

SCHEMBL25868145

NCc1cccc2sc3cccnc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.41
CLK1 P49759 1/20 0.41
DPP4 P27487 1/20 0.37
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
ADRB2 P07550 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP2A6 P11509 1/20 0.33
PNMT P11086 1/20 0.32
LMNA P02545 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
UBE2T Q9NPD8 1/20 0.32
ASIC3 Q9UHC3 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31

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
SCHEMBL20172145 0.77 LIMK1 (0.47) LIMK1CLK1LMNAALDH1A1HPGD
SCHEMBL24055645 0.74 LMNA (0.44) LIMK1CLK1MAPK1NPC1LMNA
SCHEMBL16919879 0.74 ALDH1A1 (0.49) LIMK1CLK1NPC1LMNAALDH1A1
SCHEMBL10054253 0.73 LIMK1 (0.57) LIMK1CLK1NPC1LMNAALDH1A1
SCHEMBL895544 0.71 MMP2 (0.54) DPP4MAPK1NPC1LMNAALDH1A1
SCHEMBL21237828 0.70 LIMK1 (0.37) LIMK1CLK1NPC1LMNAALDH1A1
Water SCHEMBL15271605 0.69 MMP2 (0.52) DPP4MAPK1NPC1LMNAALDH1A1
Hydrochloric Acid SCHEMBL16899244 0.69 MMP2 (0.52) DPP4MAPK1NPC1LMNAALDH1A1
SCHEMBL22373979 0.69 LIMK1 (0.41) LIMK1CLK1NPC1CYP2A6LMNA
SCHEMBL26445291 0.68 HSP90AA1 (0.41) LIMK1CLK1NPC1LMNAALDH1A1

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-11702420-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-07-18 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-11702420-B2 Organic electroluminescent materials and devices ECI1, NDUFS3, NDUFV1 LIMK1 926/4885CLK1 3194/4885DPP4 4120/4885

“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.