SCHEMBL16245117

SCHEMBL16245117

C=CC(=O)NCc1cccc(-c2ncnc3c2c(C2CCCO2)cn3COCC[Si](C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.42
▸ NUDT14 O95848 1/20 0.37
▸ NUDT5 Q9UKK9 1/20 0.37
▸ EGFR P00533 2/20 0.34
▸ ADK P55263 1/20 0.34
▸ ITK Q08881 5/20 0.34
▸ LMNA P02545 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ IGF1R P08069 1/20 0.32

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
SCHEMBL16245092 0.89 BTK (0.43) BTKNUDT14NUDT5EGFRADK
SCHEMBL16245325 0.84 BTK (0.42) BTKNUDT14NUDT5EGFRJAK3
SCHEMBL16245115 0.82 JAK3 (0.48) JAK3
SCHEMBL15032829 0.82 METTL3 (0.34) BTKEGFRADKKCNH2IGF1R
SCHEMBL16245368 0.82 BTK (0.40) BTKNUDT14NUDT5EGFRADK
SCHEMBL16245276 0.81 BTK (0.39) BTKNUDT14NUDT5EGFRADK
SCHEMBL16245061 0.81 JAK3 (0.39) BTKNUDT14NUDT5EGFRJAK3
SCHEMBL16245006 0.81 BTK (0.39) BTKNUDT14NUDT5EGFRJAK3
SCHEMBL16245217 0.81 BTK (0.41) BTKNUDT14NUDT5EGFRADK
SCHEMBL16245238 0.80 BTK (0.40) BTKNUDT14NUDT5EGFRADK

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
EP-2788000-B1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-05-30 — — EP disclosed
US-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 — — 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-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS JAK3, JAK1, JAK2 BTK 219/4885NUDT14 1448/4885NUDT5 678/4885

“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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