SCHEMBL5818552

SCHEMBL5818552

CCOC(=O)c1cc(C#C[Si](C)(C)C)c(NC(C)=O)nc1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
MAP4K2 Q12851 1/20 0.40
PKN2 Q16513 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
STK17A Q9UEE5 1/20 0.40
GLA P06280 1/20 0.39
KDM4E B2RXH2 7/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 8/20 0.37
HPGD P15428 5/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
POLB P06746 1/20 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
SCHEMBL5820160 0.81 KDM4E (0.52) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4771954 0.80 GAA (0.43) MAPK8MAPK9KDM4EHSD17B10ALDH1A1
SCHEMBL4770176 0.76 GAA (0.47) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL2012376 0.71 KDM4E (0.53) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4514562 0.70 TDP1 (0.51) MAPK10KDM4EHSD17B10ALDH1A1LMNA
SCHEMBL4068566 0.70 ALDH1A1 (0.35) MAPK8GLAKDM4EHSD17B10ALDH1A1
SCHEMBL17221745 0.69 KDM4E (0.50) MAPK8MAPK9KDM4EALDH1A1HPGD
SCHEMBL23754407 0.68 KDM4E (0.55) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL1961748 0.68 ATM (0.40) KDM4EALDH1A1LMNAPOLBGAA
SCHEMBL3879504 0.67 GABRA1 (0.47) KDM4EHSD17B10ALDH1A1LMNASMN1; SMN2

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
WO-2006112828-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2006-10-26 WO disclosed
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS INC. 2005-12-29 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-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK3 PRKD3 133/4885MAP4K4 45/4885MAPK8 10/4885

“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.