SCHEMBL17310488

SCHEMBL17310488

COc1ccc(-c2ccnc(Nc3ccc(N)cc3)n2)cc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.55
CAMKK2 Q96RR4 3/20 0.55
PIK3CG P48736 3/20 0.55
CDK5 Q00535 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
CDK5R1 Q15078 1/20 0.54
SYK P43405 1/20 0.54
IKBKB O14920 5/20 0.52
JAK2 O60674 4/20 0.51
MAPK9 P45984 1/20 0.51
JAK3 P52333 1/20 0.51
MAPK10 P53779 1/20 0.50
CCNT1 O60563 1/20 0.49
CDK9 P50750 1/20 0.49
PLK1 P53350 1/20 0.49
FLT3 P36888 1/20 0.48
EGFR P00533 2/20 0.48

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
SCHEMBL14254008 0.92 MEN1 (0.60) MAPK8CAMKK2PIK3CGCDK5MEN1
SCHEMBL14254021 0.91 PIK3CG (0.56) MAPK8CAMKK2PIK3CGCDK5MEN1
SCHEMBL14254003 0.91 PIK3CG (0.60) MAPK8CAMKK2PIK3CGCDK5MEN1
SCHEMBL14253972 0.90 CAMKK2 (0.61) MAPK8CAMKK2PIK3CGIKBKBJAK2
SCHEMBL14253977 0.89 SYK (0.57) MAPK8CAMKK2PIK3CGCDK5MEN1
SCHEMBL4901089 0.88 MEN1 (0.62) PIK3CGCDK5MEN1NPC1RAB9A
SCHEMBL14254019 0.88 CAMKK2 (0.53) MAPK8CAMKK2PIK3CGSYKJAK2
SCHEMBL14254018 0.87 CCNT1 (0.54) MAPK8CAMKK2PIK3CGSYKIKBKB
SCHEMBL14254012 0.85 PIK3CG (0.66) MAPK8CAMKK2PIK3CGCDK5MEN1
SCHEMBL14254013 0.85 PIK3CG (0.57) MAPK8CAMKK2PIK3CGCDK5SYK

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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK MAPK8 550/4885CAMKK2 809/4885PIK3CG 207/4885

“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.