SCHEMBL1551145

SCHEMBL1551145

O=C1NN[C]c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
CASP3 P42574 2/20 0.35
CASP7 P55210 2/20 0.35
CASP6 P55212 2/20 0.35
CASP8 Q14790 2/20 0.35
CASP2 P42575 1/20 0.35
KMT2A Q03164 3/20 0.35
CDC25B P30305 3/20 0.35
MEN1 O00255 2/20 0.35
MAOA P21397 5/20 0.34
MAOB P27338 3/20 0.34
PDGFRA P16234 1/20 0.34
FER P16591 1/20 0.34
LTK P29376 1/20 0.34
CDK8 P49336 1/20 0.34
ACVR1 Q04771 1/20 0.34
LRRK2 Q5S007 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 3/20 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
SCHEMBL2419975 0.78 GSK3B (0.46) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL28660 0.77 GSK3B (0.44) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL3104508 0.67
SCHEMBL10974212 0.65 GSK3B (0.37) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL1450780 0.64 CA12 (0.45) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL1438260 0.64 CA12 (0.36) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL29651311 0.63 GSK3B (0.94) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL8123268 0.63 LRRK2 (0.55) GSK3BCASP3CASP7CASP6CASP8
SCHEMBL12319785 0.63 LRRK2 (0.55) GSK3BCASP3CASP7CASP6CASP8
Phthalimide SCHEMBL27902018 0.61 GSK3B (0.88) GSK3BCASP3CASP7CASP6CASP8

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828192-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP claimed
WO-2006068978-A2 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTIAL COMPANY LIMITED (JP) 2006-06-29 WO claimed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP claimed
EP-2313422-B1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2015-03-04 EP disclosed
US-8759510-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2014-06-24 US disclosed
US-8404838-B2 Inhibitors of tyrosine kinase receptor dimerization WASHINGTON UNIVERSITY (US) 2013-03-26 US disclosed
US-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES GILEAD PHARMASSET LLC (US) 2012-10-11 US disclosed
US-8173621-B2 Nucleoside cyclicphosphates GILEAD PHARMASSET LLC (US) 2012-05-08 US disclosed
US-20110312919-A1 INHIBITORS OF TYROSINE KINASE RECEPTOR DIMERIZATION WASHINGTON UNIVERSITY (US) 2011-12-22 US disclosed
US-8008295-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
EP-2313422-A2 NUCLEOSIDE CYCLICPHOSPHATES Pharmasset, Inc. (US) 2011-04-27 EP disclosed
WO-2003086395-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-10-23 WO disclosed
WO-2003035615-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO disclosed
WO-2003035619-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO disclosed
WO-2003035616-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO disclosed
WO-2003035614-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO disclosed
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0712398-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LTD (GB) 1996-05-22 EP disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 EP disclosed
WO-1995004730-A1 BENZOPYRANS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER LIMITED (GB) 1995-02-16 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-20120258928-A1 NUCLEOSIDE CYCLICPHOSPHATES PNP, NUDT1, TYMP GSK3B 1097/4885CASP3 1239/4885CASP7 1538/4885
US-20110312919-A1 INHIBITORS OF TYROSINE KINASE RECEPTOR DIMERIZATION ERBB2, EGFR, ERBB4 GSK3B 940/4885CASP3 3974/4885CASP7 1782/4885

“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.