SCHEMBL23965804

SCHEMBL23965804

Cc1ccc2nc(NCc3ncccn3)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.56
NPC1 O15118 9/20 0.56
MAPT P10636 3/20 0.56
OPRK1 P41145 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 3/20 0.52
DYRK1A Q13627 2/20 0.52
SMN1; SMN2 Q16637 7/20 0.50
TP53 P04637 3/20 0.49
ACP1 P24666 1/20 0.49
CSNK1D P48730 2/20 0.48
ROCK2 O75116 1/20 0.48
MAP4K4 O95819 1/20 0.48
PRKCG P05129 1/20 0.48
LYN P07948 1/20 0.48
PRKACA P17612 1/20 0.48
RPS6KB1 P23443 1/20 0.48
AKT1 P31749 1/20 0.48
FLT3 P36888 1/20 0.48
CLK2 P49760 1/20 0.48

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
SCHEMBL23965796 0.87 NPC1 (0.58) RAB9ANPC1MAPTOPRK1HTT
SCHEMBL23965829 0.83 GAA (0.48) RAB9ANPC1MAPTHTTDYRK1A
SCHEMBL13993855 0.83 CSNK1D (0.64) RAB9ANPC1MAPTOPRK1HTT
SCHEMBL23965805 0.80 NPC1 (0.60) RAB9ANPC1MAPTLMNADYRK1A
SCHEMBL8019525 0.80 NPC1 (0.59) RAB9ANPC1MAPTOPRK1HTT
SCHEMBL28145911 0.78 CSNK1D (0.52) RAB9ANPC1MAPTLMNADYRK1A
SCHEMBL27834212 0.75 RIPK1 (0.64) RAB9ANPC1MAPTLMNADYRK1A
SCHEMBL13151088 0.75 NPC1 (0.64) RAB9ANPC1MAPTOPRK1HTT
SCHEMBL11014420 0.74 NPC1 (0.52) RAB9ANPC1MAPTOPRK1HTT
SCHEMBL13480513 0.74 NPC1 (0.52) RAB9ANPC1MAPTOPRK1HTT

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-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same FUJIFILM CORPORATION (JP) 2021-11-02 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-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same HAVCR2, HBS1L, PHKB RAB9A 2878/4885NPC1 1739/4885MAPT 2580/4885

“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.