SCHEMBL19104232

SCHEMBL19104232

CC(=O)c1n[nH]c2ccc(C)c(C(C)(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.33
PRKAG1 P54619 3/20 0.33
PRKAA1 Q13131 3/20 0.33
PRKAB1 Q9Y478 3/20 0.33
MAP2K4 P45985 3/20 0.33
MAPK6 Q16659 3/20 0.33
PRKAB2 O43741 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAG3 Q9UGI9 2/20 0.33
PRKAG2 Q9UGJ0 2/20 0.33
MAPKAPK2 P49137 2/20 0.33
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 2/20 0.33
IKBKB O14920 2/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
PAK1 Q13153 1/20 0.32
YTHDC1 Q96MU7 1/20 0.32
STAT3 P40763 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL19104287 0.87 MAP2K4 (0.38) MAPK1PRKAG1PRKAA1PRKAB1MAP2K4
SCHEMBL26577583 0.81 MAPK1 (0.33) MAPK1MAP2K4MAPK6MAPKAPK2MAPKAPK3
SCHEMBL22349131 0.78 LMNA (0.45) MAPK1DYRK1AFLT3LCKFYN
SCHEMBL19786433 0.78 MAPK1 (0.40) MAPK1MAP2K4MAPK6MAPKAPK2MAPKAPK3
SCHEMBL17833922 0.77 MAPK1 (0.35) MAPK1MAP2K4MAPK6MAPKAPK2DYRK1A
SCHEMBL19104285 0.74 PDPK1 (0.42) DYRK1AKDM4ECSNK2A1FLT3LCK
SCHEMBL17030758 0.74 MAPK1 (0.33) MAPK1MAP2K4MAPK6MAPKAPK2DYRK1A
SCHEMBL22328050 0.74 MAPK1 (0.33) MAPK1MAP2K4MAPK6MAPKAPK2
SCHEMBL19104228 0.74 MAPK1 (0.33) MAPK1MAP2K4MAPK6MAPKAPK2
SCHEMBL19104288 0.74 MAP2K4 (0.35) MAPK1MAP2K4MAPK6MAPKAPK2MAPKAPK3

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-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 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-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAPK1 197/4885PRKAG1 710/4885PRKAA1 426/4885

“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.