SCHEMBL3510117

SCHEMBL3510117

COP(C)(=O)Cc1cccc(Br)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
HTR7 P34969 2/20 0.34
GRM5 P41594 1/20 0.34
PARP1 P09874 1/20 0.33
ACKR3 P25106 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MBOAT4 Q96T53 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
FAAH O00519 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
ACHE P22303 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL3674807 0.79 PGK1 (0.53) PGK1PGK2CHRNB2CHRNA4HTR7
SCHEMBL13640312 0.75 PGK1 (0.41) PGK1PGK2CHRNB2CHRNA4HTR7
SCHEMBL30669248 0.75 PGK1 (0.41) PGK1PGK2CHRNB2CHRNA4HTR7
SCHEMBL7096844 0.75 KDM1A (0.35) PGK1PGK2CHRNB2CHRNA4HTR7
SCHEMBL4542167 0.75 PGK1 (0.74) PGK1PGK2PARP1ALDH1A1HPGD
SCHEMBL3510122 0.73 PGK1 (0.50) PGK1PGK2CHRNB2CHRNA4HTR7
SCHEMBL3511340 0.72 HTR7 (0.41) CHRNB2CHRNA4HTR7GRM5PARP1
SCHEMBL128886 0.71 HTR7 (0.40) HTR7PARP1KDM1AMAOAMAOB
SCHEMBL30539258 0.71 HTR7 (0.40) HTR7PARP1KDM1AMAOAMAOB
SCHEMBL4544102 0.68 PGK1 (0.62) PGK1PGK2

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
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
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 PGK1 232/4885PGK2 227/4885CHRNB2 4879/4885

“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.