SCHEMBL15032869

SCHEMBL15032869

C[Si](C)(C)CCOCn1cc(-c2cnco2)c2c(-c3cccc([N+](=O)[O-])c3)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 1/20 0.36
▸ DNPH1 O43598 1/20 0.35
▸ KEAP1 Q14145 2/20 0.33
▸ NFE2L2 Q16236 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ PIP4K2C Q8TBX8 1/20 0.32
▸ PDE4D Q08499 5/20 0.32
▸ PDE4A P27815 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNB3 Q05901 1/20 0.31
▸ CFTR P13569 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
SCHEMBL15013343 0.86 MAP4K4 (0.42) JAK3
SCHEMBL15032806 0.84 DNPH1 (0.38) DNPH1KEAP1NFE2L2MEN1KMT2A
SCHEMBL15032968 0.83 PDE4D (0.35) DNPH1KEAP1NFE2L2MEN1KMT2A
SCHEMBL15032969 0.82 MAPT (0.37) DNPH1KEAP1NFE2L2MEN1KMT2A
SCHEMBL15032967 0.82 NPC1 (0.37) DNPH1KEAP1NFE2L2MEN1KMT2A
SCHEMBL15009804 0.82 ALDH1A1 (0.42) DNPH1KEAP1NFE2L2MEN1KMT2A
SCHEMBL15032648 0.82 ALDH1A1 (0.36) DNPH1KEAP1NFE2L2MEN1KMT2A
SCHEMBL15032827 0.80 MAPK14 (0.41) JAK3DNPH1KEAP1NFE2L2MEN1
SCHEMBL15032824 0.80 DNPH1 (0.35) DNPH1KEAP1NFE2L2MEN1KMT2A
SCHEMBL15032859 0.80 JAK3 (0.61) JAK3

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 8 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-8993756-B2 Pyrrolopyrimidines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US 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
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 — — US disclosed
US-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS MERCK SHARP & DOHME CORP. (US) 2014-11-27 — — US disclosed
WO-2013085802-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 — — 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-20140349998-A1 PYRROLOPYRIMIDINES AS JANUS KINASE INHIITORS JAK3, JAK1, JAK2 JAK3 1/4885DNPH1 2130/4885KEAP1 1857/4885

“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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