SCHEMBL312134

SCHEMBL312134

CC(C)(C#Cc1c[nH]c2ncnc(Cl)c12)O[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
MAP3K7 O43318 6/20 0.38
TAB1 Q15750 6/20 0.38
CHUK O15111 1/20 0.33
TRPA1 O75762 1/20 0.33
AURKA O14965 1/20 0.32
AKT1 P31749 2/20 0.32
LRRK2 Q5S007 2/20 0.31
HSP90AB1 P08238 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
NTRK1 P04629 1/20 0.30
PRKACA P17612 1/20 0.30
LTK P29376 1/20 0.30
MAP2K2 P36507 1/20 0.30
MAPK8 P45983 1/20 0.30
CDK8 P49336 1/20 0.30
CLK2 P49760 1/20 0.30
GSK3A P49840 1/20 0.30

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
SCHEMBL311539 0.82 CHEK1 (0.46) CHEK1MAP3K7TAB1CHUKAURKA
SCHEMBL1735020 0.77 CHEK1 (0.50) CHEK1MAP3K7TAB1CHUKTRPA1
SCHEMBL310980 0.76 CHEK1 (0.43) CHEK1MAP3K7TAB1CHUKTRPA1
SCHEMBL312426 0.71 CHEK1 (0.49) CHEK1MAP3K7TAB1CHUKAURKA
SCHEMBL154683 0.70 CHUK (0.61) CHEK1MAP3K7TAB1CHUKLRRK2
SCHEMBL1737697 0.70 CHEK1 (0.56) CHEK1MAP3K7TAB1CHUKTRPA1
SCHEMBL5522262 0.70 CHEK1 (0.47) CHEK1CHUKLRRK2PRKD3MAP4K4
SCHEMBL30974784 0.67 CHEK1 (0.56) CHEK1MAP3K7TAB1TRPA1AURKA
SCHEMBL15598602 0.65 CHEK1 (0.53) CHEK1TRPA1AURKAAKT1LRRK2
SCHEMBL357993 0.65 CHEK1 (0.61) CHEK1TRPA1AURKAAKT1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 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 (2 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 CHEK1 521/4885MAP3K7 110/4885TAB1 1578/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 CHEK1 521/4885MAP3K7 110/4885TAB1 1578/4885

“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.