SCHEMBL15032969

SCHEMBL15032969

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ DNPH1 O43598 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KEAP1 Q14145 3/20 0.35
▸ NFE2L2 Q16236 3/20 0.35
▸ POLB P06746 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ CFTR P13569 1/20 0.33
▸ DUSP26 Q9BV47 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PDE4A P27815 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
SCHEMBL15032806 0.88 DNPH1 (0.38) MAPTDNPH1ALDH1A1MEN1KMT2A
SCHEMBL15009804 0.85 ALDH1A1 (0.42) MAPTNPSR1DNPH1ALDH1A1MEN1
SCHEMBL15032820 0.82 PDE4A (0.42) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15032967 0.82 NPC1 (0.37) MAPTDNPH1ALDH1A1MEN1KMT2A
SCHEMBL15032869 0.82 JAK3 (0.36) DNPH1ALDH1A1MEN1KMT2AKEAP1
SCHEMBL15032868 0.82 ALDH1A1 (0.36) MAPTNPSR1DNPH1ALDH1A1MEN1
SCHEMBL15032968 0.82 PDE4D (0.35) MAPTDNPH1ALDH1A1MEN1KMT2A
SCHEMBL15032648 0.82 ALDH1A1 (0.36) MAPTDNPH1ALDH1A1MEN1KMT2A
SCHEMBL20184452 0.81 LMNA (0.39) MAPTDNPH1ALDH1A1MEN1KMT2A
SCHEMBL15032650 0.81 ALDH1A1 (0.43) MAPTNPSR1DNPH1ALDH1A1MEN1

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 MAPT 3790/4885NPSR1 3076/4885DNPH1 2130/4885

“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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