SCHEMBL1145879

SCHEMBL1145879

CCc1nc(N)cc(N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.43
KDM4E B2RXH2 8/20 0.40
MAPK1 P28482 6/20 0.40
HSD17B10 Q99714 6/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK9 P45984 2/20 0.38
PRKD3 O94806 2/20 0.38
MAP4K4 O95819 2/20 0.38
MAP4K2 Q12851 2/20 0.38
PKN2 Q16513 2/20 0.38
MAPK10 P53779 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
STK17A Q9UEE5 1/20 0.38

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
SCHEMBL1146054 0.86 MAPK1 (0.56) MAPK8KDM4EMAPK1HSD17B10SMN1; SMN2
Dimethylamine SCHEMBL9149936 0.82 MAPK1 (0.51) MAPK8KDM4EMAPK1HSD17B10SMN1; SMN2
SCHEMBL1145868 0.81 KDM4E (0.45) MAPK8KDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL11447309 0.79 MAPK8 (0.62) MAPK8KDM4EHSD17B10HPGDALDH1A1
SCHEMBL8766034 0.76 NOS1 (0.47) MAPK8KDM4EMAPK1HSD17B10GAA
SCHEMBL1144839 0.75 MAPK8 (0.78) MAPK8MAPK9PRKD3MAP4K4MAP4K2
SCHEMBL11702984 0.74 MAPK8 (0.43) MAPK8KDM4EGAASMN1; SMN2MEN1
SCHEMBL7893174 0.74 KDM4E (0.48) KDM4EMAPK1HSD17B10GAARECQL
SCHEMBL1145009 0.74 MAPK8 (0.60) MAPK8MAPK1MAPK9PRKD3MAP4K4
SCHEMBL21610059 0.73 KDM4E (0.42) KDM4EMAPK1HSD17B10SMN1; SMN2MEN1

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-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 MAPK8 30/4885KDM4E 2987/4885MAPK1 26/4885

“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.