SCHEMBL17026599

SCHEMBL17026599

C=CC(=O)N1CCC(c2n[nH]c3cc(Cl)c(-c4ccccc4Cl)cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 5/20 0.44
PRKAG1 P54619 5/20 0.44
PRKAA2 P54646 5/20 0.44
PRKAA1 Q13131 5/20 0.44
PRKAG3 Q9UGI9 5/20 0.44
PRKAG2 Q9UGJ0 5/20 0.44
PRKAB1 Q9Y478 5/20 0.44
KRAS P01116 5/20 0.41
JAK3 P52333 2/20 0.40
BTK Q06187 4/20 0.40
LCK P06239 1/20 0.40
SRC P12931 1/20 0.40
CDK14 O94921 1/20 0.39
CCNY Q8ND76 1/20 0.39
FGFR4 P22455 1/20 0.37
RBP4 P02753 1/20 0.37
PAK1 Q13153 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
SCHEMBL29766081 0.85 FGFR4 (0.51) KRASJAK3BTKCDK14CCNY
SCHEMBL16636976 0.85 FGFR4 (0.51) KRASJAK3BTKCDK14CCNY
SCHEMBL16646871 0.83 KRAS (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16636897 0.80 KRAS (0.48) KRAS
SCHEMBL29765798 0.80 KRAS (0.48) KRAS
SCHEMBL21302112 0.78 MCHR1 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL17833927 0.75 GSK3B (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL21302103 0.74 KRAS (0.46) KRASBTK
SCHEMBL16646903 0.71 EGFR (0.55) KRASBTKPAK1
SCHEMBL22173981 0.71 EPHX2 (0.47)

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-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 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-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PRKAB2 1396/4885PRKAG1 1104/4885PRKAA2 1348/4885

“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.