SCHEMBL11999657

SCHEMBL11999657

Bc1ccc2nc(N)sc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
AXL P30530 1/20 0.40
GFER P55789 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
CYP3A4 P08684 4/20 0.37
NPC1 O15118 3/20 0.37
PI4KA P42356 3/20 0.37
PI4KB Q9UBF8 3/20 0.37
SCN4A P35499 2/20 0.37
PIK3CA P42336 2/20 0.37
HSD17B10 Q99714 2/20 0.37
EPHX2 P34913 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL29594896 0.79 RAB9A (0.41) RAB9AMAPTHTTAXLGFER
SCHEMBL799228 0.79 RAB9A (0.41) RAB9AMAPTHTTAXLGFER
SCHEMBL2666929 0.78 RAB9A (0.42) RAB9AMAPTHTTAXLGFER
SCHEMBL558903 0.75 AXL (0.48) RAB9AMAPTHTTAXLGFER
SCHEMBL30526769 0.75 GAA (0.48) RAB9AMAPTHTTAXLGFER
SCHEMBL30136461 0.75 RAB9A (0.40) RAB9AMAPTHTTAXLGFER
SCHEMBL31109671 0.75 RAB9A (0.48) RAB9AMAPTHTTAXLGFER
SCHEMBL113113 0.75 RAB9A (0.40) RAB9AMAPTHTTAXLGFER
SCHEMBL5533108 0.75 RAB9A (0.48) RAB9AMAPTHTTAXLGFER
SCHEMBL30858903 0.75 AXL (0.48) RAB9AMAPTHTTAXLGFER

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-20120214735-A1 ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND MEDICINAL APPLICATIONS ADVINUS THERAPEUTICS LIMITED (IN) 2012-08-23 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-20120214735-A1 ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND MEDICINAL APPLICATIONS GCK, GCKR, ALDOA RAB9A 3085/4885MAPT 324/4885HTT 1526/4885

“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.