SCHEMBL3512286

SCHEMBL3512286

CC(NCc1cccc(Br)n1)C(C)(C)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TRPV3 Q8NET8 15/20 0.38
NPSR1 Q6W5P4 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
CD274 Q9NZQ7 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
SCHEMBL5338175 0.80 KDM1A (0.44) SIRT2KDM1AMAOAMAOBTRPV3
SCHEMBL5343292 0.78 TRPV3 (0.46) SIRT2KDM1AMAOAMAOBTRPV3
SCHEMBL12616291 0.78 KDM1A (0.42) SIRT2KDM1AMAOAMAOBTRPV3
SCHEMBL5343914 0.76 TRPV3 (0.64) TRPV3
SCHEMBL12538333 0.76 TRPV3 (0.64) TRPV3
SCHEMBL15064924 0.75 TRPV3 (0.41) SIRT2KDM1AMAOAMAOBTRPV3
SCHEMBL3730227 0.74 CASR (0.50) SIRT2KDM1AMAOAMAOBTRPV3
SCHEMBL3730225 0.74 CASR (0.50) SIRT2KDM1AMAOAMAOBTRPV3
SCHEMBL5343798 0.74 TRPV3 (0.48) SIRT2KDM1AMAOAMAOBTRPV3
SCHEMBL1810233 0.72 KDM1A (0.36) SIRT2KDM1AMAOAMAOBNPSR1

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 10 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
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 SIRT2 1096/4885KDM1A 453/4885MAOA 4470/4885

“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.