SCHEMBL13860643

SCHEMBL13860643

CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Nc3ccc(CO)cn3)nc12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.34
SYK P43405 3/20 0.33
MAPT P10636 1/20 0.31
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
JAK3 P52333 1/20 0.30
KLKB1 P03952 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
SCHEMBL13860322 0.91 JAK3 (0.36) DGAT1JAK3
SCHEMBL13858311 0.88 JAK3 (0.34) DGAT1JAK3
SCHEMBL2344746 0.84 JAK3 (0.36) DGAT1JAK3
SCHEMBL13860408 0.84 JAK3 (0.34) DGAT1SYKJAK3
SCHEMBL13858191 0.81 JAK3 (0.37) DGAT1JAK3KLKB1
SCHEMBL13858240 0.81 JAK3 (0.41) JAK3
SCHEMBL13858099 0.81 SYK (0.42) DGAT1SYKJAK3
SCHEMBL13858301 0.80 JAK3 (0.51) JAK3
SCHEMBL13858289 0.80 JAK3 (0.51) JAK3
SCHEMBL13858118 0.80 JAK3 (0.40) DGAT1SYKJAK3

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
US-9187487-B2 Azaindole derivatives as tyrosine kinase inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2015-11-17 US disclosed
EP-2710006-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS Principia Biopharma Inc. (US) 2014-03-26 EP disclosed
US-20140073626-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS Principia Biopharma (US) 2014-03-13 US disclosed
WO-2012158785-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2012-11-22 WO 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-20140073626-A1 AZAINDOLE DERIVATIVES AS TYROSINE KINASE INHIBITORS BMX, BLK, ITK DGAT1 3759/4885SYK 43/4885MAPT 3278/4885

“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.