SCHEMBL15032650

SCHEMBL15032650

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ DNPH1 O43598 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ KEAP1 Q14145 2/20 0.33
▸ NFE2L2 Q16236 2/20 0.33
▸ ATR Q13535 1/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PPARG P37231 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RECQL P46063 1/20 0.32

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
SCHEMBL15009804 0.89 ALDH1A1 (0.42) ALDH1A1DNPH1KMT2AMEN1MAPT
SCHEMBL16245216 0.88 ALDH1A1 (0.41) ALDH1A1DNPH1KMT2AMEN1MAPT
SCHEMBL15032820 0.86 PDE4A (0.42) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL20184452 0.84 LMNA (0.39) ALDH1A1DNPH1KMT2AMEN1MAPT
SCHEMBL15032831 0.84 ALDH1A1 (0.38) ALDH1A1DNPH1KMT2AMEN1MAPT
SCHEMBL15032649 0.83 ALDH1A1 (0.38) ALDH1A1DNPH1KMT2AMEN1MAPT
SCHEMBL15032806 0.83 DNPH1 (0.38) ALDH1A1DNPH1KMT2AMEN1MAPT
SCHEMBL15013994 0.82 ALDH1A1 (0.36) ALDH1A1DNPH1KMT2AMEN1MAPT
SCHEMBL15032868 0.82 ALDH1A1 (0.36) ALDH1A1DNPH1KMT2AMEN1MAPT
SCHEMBL15032969 0.81 MAPT (0.37) ALDH1A1DNPH1KMT2AMEN1MAPT

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 2130/4885KMT2A 1819/4885

“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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