SCHEMBL15032648

SCHEMBL15032648

Cc1nnc(-c2cn(COCC[Si](C)(C)C)c3ncnc(-c4cccc([N+](=O)[O-])c4)c23)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ DNPH1 O43598 1/20 0.36
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ KEAP1 Q14145 4/20 0.35
▸ NFE2L2 Q16236 4/20 0.35
▸ HTT P42858 3/20 0.34
▸ PIP4K2C Q8TBX8 1/20 0.34
▸ LMNA P02545 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ MAPT P10636 1/20 0.33

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
SCHEMBL15032866 0.86 SRC (0.32) HTTPIP4K2C
SCHEMBL15032967 0.85 NPC1 (0.37) ALDH1A1DNPH1KEAP1NFE2L2HTT
SCHEMBL15032806 0.83 DNPH1 (0.38) ALDH1A1DNPH1KEAP1NFE2L2MEN1
SCHEMBL15032968 0.82 PDE4D (0.35) ALDH1A1DNPH1PKMKEAP1NFE2L2
SCHEMBL15032969 0.82 MAPT (0.37) ALDH1A1DNPH1KEAP1NFE2L2LMNA
SCHEMBL15032869 0.82 JAK3 (0.36) ALDH1A1DNPH1KEAP1NFE2L2HTT
SCHEMBL15009804 0.81 ALDH1A1 (0.42) ALDH1A1DNPH1KEAP1NFE2L2LMNA
SCHEMBL15032861 0.80 JAK3 (0.47) —
SCHEMBL15032820 0.80 PDE4A (0.42) ALDH1A1MEN1KMT2APDE4APDE4D
SCHEMBL16245249 0.80 BTK (0.38) —

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 ALDH1A1 2206/4885DNPH1 2130/4885MGAM 4859/4885

“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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