SCHEMBL15032824

SCHEMBL15032824

CC1CN=C(c2cn(COCC[Si](C)(C)C)c3ncnc(-c4cccc([N+](=O)[O-])c4)c23)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAOA P21397 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ KEAP1 Q14145 2/20 0.32
▸ NFE2L2 Q16236 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ADK P55263 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PIP4K2C Q8TBX8 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PDE4D Q08499 2/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 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
SCHEMBL15032867 0.86 ALDH1A1 (0.36) ALDH1A1BRD4CREBBPADK
SCHEMBL15032806 0.82 DNPH1 (0.38) DNPH1ALDH1A1KEAP1NFE2L2MEN1
SCHEMBL16245367 0.81 JAK3 (0.47) —
SCHEMBL15032969 0.81 MAPT (0.37) DNPH1ALDH1A1KEAP1NFE2L2MEN1
SCHEMBL16245368 0.80 BTK (0.40) ALDH1A1ADK
SCHEMBL15032869 0.80 JAK3 (0.36) DNPH1ALDH1A1KEAP1NFE2L2MEN1
SCHEMBL15032967 0.80 NPC1 (0.37) DNPH1ALDH1A1KEAP1NFE2L2MEN1
SCHEMBL15032827 0.80 MAPK14 (0.41) DNPH1ALDH1A1BRD4CREBBPKEAP1
SCHEMBL15009804 0.80 ALDH1A1 (0.42) DNPH1ALDH1A1KEAP1NFE2L2MEN1
SCHEMBL15032648 0.80 ALDH1A1 (0.36) DNPH1ALDH1A1KEAP1NFE2L2MEN1

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 DNPH1 2130/4885ALDH1A1 2206/4885MAOA 3243/4885

“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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