SCHEMBL15032831

SCHEMBL15032831

CC(=O)NNC(=O)c1cn(COCC[Si](C)(C)C)c2ncnc(-c3cccc([N+](=O)[O-])c3)c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ DNPH1 O43598 1/20 0.37
▸ LMNA P02545 4/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ SLC2A1 P11166 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ GAA P10253 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
SCHEMBL20184452 0.89 LMNA (0.39) ALDH1A1DNPH1LMNAMAPK1KMT2A
SCHEMBL15009804 0.89 ALDH1A1 (0.42) ALDH1A1DNPH1LMNAMAPK1KMT2A
SCHEMBL15032649 0.88 ALDH1A1 (0.38) ALDH1A1DNPH1LMNAMAPK1KMT2A
SCHEMBL15013994 0.87 ALDH1A1 (0.36) ALDH1A1DNPH1LMNAMAPK1KMT2A
SCHEMBL15032868 0.86 ALDH1A1 (0.36) ALDH1A1DNPH1LMNAMAPK1KMT2A
SCHEMBL15032820 0.86 PDE4A (0.42) ALDH1A1MAPK1KMT2AMEN1MAPT
SCHEMBL16245216 0.85 ALDH1A1 (0.41) ALDH1A1DNPH1LMNAMAPK1KMT2A
SCHEMBL15032650 0.84 ALDH1A1 (0.43) ALDH1A1DNPH1LMNAMAPK1KMT2A
SCHEMBL15032806 0.83 DNPH1 (0.38) ALDH1A1DNPH1KMT2AMEN1MAPT
SCHEMBL15032969 0.81 MAPT (0.37) ALDH1A1DNPH1LMNAKMT2AMEN1

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 2130/4885LMNA 4792/4885

“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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