SCHEMBL608482

SCHEMBL608482

CN(C)C(=O)c1ccc(Nc2cc(Cl)nn(C)c2=O)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
TYK2 P29597 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
TTK P33981 6/20 0.40
CDK2 P24941 6/20 0.40
CCNA2 P20248 3/20 0.40
AURKA O14965 2/20 0.39
HPGD P15428 1/20 0.36
CDK1 P06493 1/20 0.36
KMT2A Q03164 1/20 0.36
HCAR3 P49019 2/20 0.36
FYN P06241 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL609443 0.88 HCAR3 (0.48) HPGDHCAR3
SCHEMBL12602957 0.87 HPGD (0.38) GRM5HPGDHCAR3
SCHEMBL611354 0.85 MAPK1 (0.42) GRM5TYK2JAK2JAK1JAK3
SCHEMBL610958 0.82 HPGD (0.57) GRM5TYK2HPGD
SCHEMBL15906434 0.81 FASN (0.51) GRM5CDK2HPGD
SCHEMBL12602961 0.81 GRM5 (0.60) GRM5TYK2HPGD
SCHEMBL609572 0.79 KDM4E (0.56) GRM5TYK2HPGDLRRK2
SCHEMBL29925224 0.79 KDM4E (0.56) GRM5TYK2HPGDLRRK2
SCHEMBL608992 0.78 HPGD (0.48) GRM5HPGDKMT2A
SCHEMBL15101753 0.78 PKM (0.47) TYK2JAK2JAK1JAK3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744804-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 US disclosed
EP-2744804-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-06-25 EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 US disclosed
WO-2013024078-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 WO disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US 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 (3 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN GRM5 3767/4885TYK2 7/4885JAK2 44/4885
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN GRM5 4527/4885TYK2 14/4885JAK2 35/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN GRM5 3767/4885TYK2 7/4885JAK2 44/4885

“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.