SCHEMBL1145868

SCHEMBL1145868

CC(C)Cc1nc(N)cc(N)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 7/20 0.45
HPGD P15428 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NOS2 P35228 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
HTT P42858 3/20 0.40
HSD17B10 Q99714 3/20 0.39
TSHR P16473 1/20 0.39
MAPK8 P45983 6/20 0.39
MAPK9 P45984 4/20 0.39
PRKD3 O94806 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
USP2 O75604 1/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
IKBKB O14920 1/20 0.33

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
SCHEMBL1145879 0.81 MAPK8 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2NOS2
SCHEMBL1146054 0.78 MAPK1 (0.56) KDM4EALDH1A1HPGDSMN1; SMN2NOS2
Dimethylamine SCHEMBL9149936 0.74 MAPK1 (0.51) KDM4EALDH1A1HPGDSMN1; SMN2NOS2
SCHEMBL11169281 0.73 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL8766034 0.72 NOS1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2NOS2
SCHEMBL11169283 0.71 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2NOS2
SCHEMBL11447309 0.71 MAPK8 (0.62) KDM4EALDH1A1HPGDHSD17B10MAPK8
SCHEMBL11702984 0.70 MAPK8 (0.43) KDM4EALDH1A1HPGDSMN1; SMN2MAPK8
SCHEMBL7893174 0.70 KDM4E (0.48) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL1145445 0.70 MAPK8 (0.60) KDM4EMAPK8MAPK9PRKD3LMNA

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-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO 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 KDM4E 2987/4885ALDH1A1 4339/4885HPGD 2165/4885

“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.