SCHEMBL21137709

SCHEMBL21137709

COCc1ccc2nc(C#N)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GSK3B P49841 1/20 0.40
APP P05067 3/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
MAPT P10636 1/20 0.38
DYRK1A Q13627 1/20 0.37
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.37
CSNK1D P48730 1/20 0.36

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
SCHEMBL15950041 0.80 RAB9A (0.41) CYP3A4NPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL18365001 0.80 APP (0.52) CYP3A4NPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL12336473 0.79 CYP3A4 (0.60) CYP3A4NPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL19782653 0.78 RAB9A (0.45) CYP3A4NPC1RAB9ASMN1; SMN2APP
SCHEMBL12872411 0.78 RAB9A (0.56) NPC1RAB9ASMN1; SMN2APPTP53
SCHEMBL28024231 0.78 RAB9A (0.39) CYP3A4NPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL19190261 0.77 PCSK9 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL12312877 0.77 CYP3A4 (0.46) CYP3A4NPC1RAB9ASMN1; SMN2CA2
SCHEMBL906609 0.77 CYP1A2 (0.59) CYP3A4NPC1RAB9ASMN1; SMN2APP
SCHEMBL12312848 0.76 CYP3A4 (0.60) CYP3A4NPC1RAB9ACA2TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190290784-A1 LUCIFERIN DERIVATIVES FROM BICYCLIC REACTANTS AND AMINOTHIOL DERIVATIVES AND METHODS OF USE THEREOF UNIV CALIFORNIA (US) 2019-09-26 US disclosed
US-10328161-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-06-25 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 (2 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-10328161-B2 Luciferin derivatives from bicyclic reactants and aminothiol derivatives and methods of use thereof GFPT1, QPCT, GLB1 CYP3A4 759/4885NPC1 3707/4885RAB9A 4461/4885
US-20190290784-A1 LUCIFERIN DERIVATIVES FROM BICYCLIC REACTANTS AND AMINOTHIOL DERIVATIVES AND METHODS OF USE THEREOF GFPT1, QPCT, GLB1 CYP3A4 759/4885NPC1 3707/4885RAB9A 4461/4885

“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.