SCHEMBL16245249

SCHEMBL16245249

C=CC(=O)NCc1cccc(-c2ncnc3c2c(-c2nnc(C)s2)cn3COCC[Si](C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.38
▸ FGFR1 P11362 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ JAK3 P52333 4/20 0.33
▸ NUDT14 O95848 1/20 0.33
▸ NUDT5 Q9UKK9 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ EGFR P00533 5/20 0.33
▸ IGF1R P08069 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ MEF2D Q14814 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ ADK P55263 1/20 0.32
▸ SRC P12931 1/20 0.31

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
SCHEMBL16245006 0.88 BTK (0.39) BTKFGFR1FGFR4JAK3NUDT14
SCHEMBL16245338 0.86 BTK (0.39) BTKFGFR1FGFR4JAK3NUDT14
SCHEMBL16245325 0.85 BTK (0.42) BTKFGFR1FGFR4JAK3NUDT14
SCHEMBL16245217 0.85 BTK (0.41) BTKFGFR1FGFR4JAK3NUDT14
SCHEMBL16245238 0.84 BTK (0.40) BTKFGFR1FGFR4JAK3NUDT14
SCHEMBL16245276 0.84 BTK (0.39) BTKFGFR1FGFR4JAK3NUDT14
SCHEMBL16245061 0.83 JAK3 (0.39) BTKJAK3NUDT14NUDT5JAK2
SCHEMBL15032861 0.82 JAK3 (0.47) JAK3JAK2
SCHEMBL16245374 0.82 BTK (0.40) BTKFGFR1FGFR4JAK3NUDT14
SCHEMBL16245368 0.82 BTK (0.40) BTKFGFR1FGFR4JAK3NUDT14

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 219/4885FGFR1 371/4885FGFR4 591/4885

“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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