SCHEMBL18316947

SCHEMBL18316947

CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1c(N)nc2cc(CO[Si](C)(C)C(C)(C)C)ccc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 1/20 0.40
▸ ITK Q08881 7/20 0.38
▸ CHEK2 O96017 1/20 0.37
▸ HRH3 Q9Y5N1 4/20 0.37
▸ ALOX5AP P20292 3/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ TXK P42681 1/20 0.36

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
SCHEMBL18316945 1.00 PDE8B (0.40) PDE8BITKCHEK2HRH3ALOX5AP
SCHEMBL15575809 0.81 PDE8B (0.46) PDE8BCHEK2ALOX5APFEN1
SCHEMBL15575623 0.81 PDE8B (0.46) PDE8BCHEK2ALOX5APFEN1
SCHEMBL15575625 0.81 PDE8B (0.46) PDE8BCHEK2ALOX5APFEN1
SCHEMBL16987536 0.78 ITK (0.42) PDE8BITKKLK7
SCHEMBL16987532 0.78 ITK (0.42) PDE8BITKKLK7
SCHEMBL15615864 0.78 ITK (0.42) PDE8BITKKLK7
SCHEMBL18316791 0.77 ITK (0.66) ITKTXK
SCHEMBL18316793 0.77 ITK (0.66) ITKTXK
SCHEMBL10298674 0.72 FPR3 (0.41) PDE8BCHEK2

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-9932329-B2 Benzimidazole derivatives as RLK and ITK inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2018-04-03 — — US disclosed
US-9932329-B2 Benzimidazole derivatives as RLK and ITK inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2018-04-03 — — US disclosed
US-20160368908-A1 BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS PRINCIPIA BIOPHARMA, INC. 2016-12-22 — — US disclosed
US-20160368908-A1 BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS PRINCIPIA BIOPHARMA, INC. 2016-12-22 — — 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-20160368908-A1 BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS ITK, BLK, LMTK2 PDE8B 3017/4885ITK 1/4885CHEK2 374/4885

“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.

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