SCHEMBL359583

SCHEMBL359583

Cn1cc(-n2ccc(=O)c(CCc3ccnc4[nH]ccc34)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
TPX2 Q9ULW0 1/20 0.47
GRM4 Q14833 1/20 0.37
MET P08581 4/20 0.36
PRKCI P41743 1/20 0.35
CSNK1D P48730 2/20 0.34
MAPK14 Q16539 2/20 0.34
KDM5A P29375 1/20 0.33
MAPK11 Q15759 1/20 0.33
JAK2 O60674 5/20 0.33
JAK1 P23458 5/20 0.33
JAK3 P52333 3/20 0.33
TYK2 P29597 3/20 0.33
KLKB1 P03952 1/20 0.33
MAPK1 P28482 1/20 0.33
CCNK O75909 2/20 0.32
CDK12 Q9NYV4 2/20 0.32

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
SCHEMBL371183 0.83 PDE10A (0.40) GRM4
SCHEMBL368935 0.74 KDM5A (0.34) KDM5A
SCHEMBL158835 0.72 CYP2C9 (0.35) KDM5A
SCHEMBL369021 0.71 MET (0.39) MET
SCHEMBL359649 0.71 GFER (0.33) METKDM5A
SCHEMBL173996 0.71 CYP2C9 (0.37) KDM5A
SCHEMBL14915939 0.71 KDM5A (0.33) METKDM5A
SCHEMBL368067 0.70 MET (0.39) MET
SCHEMBL2365038 0.70 KDM5A (0.34) AURKAAURKBINCENPKDM5A
SCHEMBL12503525 0.69 EP300 (0.38) METMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO claimed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET AURKA 468/4885AURKB 319/4885INCENP 3614/4885

“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.