SCHEMBL3511191

SCHEMBL3511191

CC(C)(O)C#Cc1ccc(Cl)nn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
PGK1 P00558 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ASIC3 Q9UHC3 1/20 0.31
FLT4 P35916 1/20 0.31
TTBK1 Q5TCY1 3/20 0.31
HAO1 Q9UJM8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CHUK O15111 1/20 0.30

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
SCHEMBL34471428 0.74 ALDH1A1 (0.35) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL8972795 0.73 TTBK1 (0.38) KMT2AMAPTL3MBTL1TTBK1SMN1; SMN2
SCHEMBL19243971 0.69 CHUK (0.37) PGK1TTBK1CHUK
SCHEMBL11269556 0.68 ASIC3 (0.44) LMNAKMT2AALDH1A1PGK1L3MBTL1
SCHEMBL4521359 0.68 MCHR1 (0.42) CHUK
SCHEMBL3508189 0.68 PGK1 (0.40) PGK1L3MBTL1ASIC3TTBK1
SCHEMBL9855612 0.67 GRM5 (0.46) ALDH1A1GAA
SCHEMBL15878623 0.66 GRM5 (0.40) KMT2AMAPTPGK1ASIC3FLT4
SCHEMBL1000276 0.66 ALDH1A1 (0.40) LMNAKMT2AALDH1A1GAAMAPT
SCHEMBL25486882 0.66 TTBK1 (0.38) LMNAKMT2AL3MBTL1TTBK1CHUK

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 LMNA 4183/4885KMT2A 617/4885ALDH1A1 3244/4885

“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.