SCHEMBL18239336

SCHEMBL18239336

C[C@H](N)c1cncc(-c2cnn(C)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
INPPL1 O15357 1/20 0.42
CYP11B2 P19099 1/20 0.41
DYRK1A Q13627 1/20 0.40
AURKA O14965 1/20 0.40
TTK P33981 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
LRRK2 Q5S007 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
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
MET P08581 2/20 0.37
MST1R Q04912 1/20 0.37
CCNC P24863 4/20 0.37
CDK8 P49336 4/20 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
SCHEMBL18228546 1.00 MKNK1 (0.50) MKNK1MKNK2INPPL1CYP11B2DYRK1A
SCHEMBL13086621 0.87 MKNK1 (0.49) MKNK1MKNK2INPPL1CYP11B2DYRK1A
SCHEMBL20186871 0.79 PFKFB3 (0.52) DYRK1APIK3CDPIK3CAPIK3CBPI4KA
Hydrochloric Acid SCHEMBL30806069 0.79 PFKFB3 (0.41) MKNK1MKNK2AURKATTKAURKB
SCHEMBL18228215 0.79 PFKFB3 (0.52) DYRK1APIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL31456988 0.79 PFKFB3 (0.52) DYRK1APIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL19604964 0.78 GPR55 (0.48) MKNK1MKNK2DYRK1AAURKATTK
SCHEMBL16089005 0.78 GPR55 (0.48) MKNK1MKNK2DYRK1AAURKATTK
SCHEMBL12453539 0.78 GPR55 (0.48) MKNK1MKNK2DYRK1AAURKATTK
SCHEMBL12304985 0.77 MKNK1 (0.41) MKNK1MKNK2INPPL1CYP11B2DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO 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-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 MKNK1 559/4885MKNK2 599/4885INPPL1 2904/4885

“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.