SCHEMBL369816

SCHEMBL369816

Cn1cc(-n2ccc(=O)c(NC(=O)OC(C)(C)C)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
RORC P51449 2/20 0.35
CNR2 P34972 1/20 0.35
GAA P10253 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OGFRL1 Q5TC84 1/20 0.35
KDM5A P29375 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2C9 P11712 1/20 0.33
DGAT1 O75907 1/20 0.32
USP30 Q70CQ3 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
NCOR2 Q9Y618 1/20 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
SCHEMBL370989 0.83 KMT2A (0.40) GAAKDM5AALDH1A1POLBKMT2A
SCHEMBL255707 0.80 GAA (0.48) GSK3BDYRK1AGAAKDM5AALDH1A1
SCHEMBL255442 0.78 RORC (0.40) GSK3BDYRK1ARORCUSP30HDAC3
SCHEMBL13449334 0.73 GSK3B (0.39) GSK3BDYRK1ARORCCNR2HDAC3
SCHEMBL14926940 0.73 GSK3B (0.39) GSK3BDYRK1ARORCDGAT1HDAC3
SCHEMBL13449429 0.73 GAA (0.45) GAAALDH1A1POLBKMT2AKDM4E
SCHEMBL163545 0.72 CYP2C9 (0.63) GAAKDM5AALDH1A1POLBKMT2A
SCHEMBL2221646 0.71 CYP2C9 (0.47) GAAKDM5AALDH1A1POLBKMT2A
SCHEMBL13275030 0.70 KMT2A (0.38) GAAKDM5AALDH1A1POLBKMT2A
SCHEMBL6133162 0.70 ALDH1A1 (0.54) GSK3BDYRK1ARORCALDH1A1L3MBTL1

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 5 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 disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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 (2 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 GSK3B 301/4885DYRK1A 327/4885RORC 961/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET GSK3B 385/4885DYRK1A 239/4885RORC 992/4885

“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.