SCHEMBL4751877

SCHEMBL4751877

[C-]#[N+]c1cn(CC(=O)OCC)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
MITF O75030 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MAPK1 P28482 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PIN1 Q13526 1/20 0.37
PIN4 Q9Y237 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ELANE P08246 1/20 0.36
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL3711683 0.80 RAB9A (0.54) RAB9ASMN1; SMN2GSK3AGSK3BMITF
SCHEMBL20552878 0.77 RAB9A (0.52) RAB9ASMN1; SMN2GSK3AGSK3BMITF
SCHEMBL16246183 0.77 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2GSK3AGSK3BMITF
SCHEMBL307578 0.77 RAB9A (0.52) RAB9ASMN1; SMN2GSK3AGSK3BMITF
SCHEMBL1025097 0.77 RAB9A (0.52) RAB9ASMN1; SMN2GSK3AGSK3BMITF
SCHEMBL23361721 0.76 RAB9A (0.51) RAB9ASMN1; SMN2GSK3AGSK3BMITF
SCHEMBL3734570 0.75 RAB9A (0.50) RAB9ASMN1; SMN2GSK3AGSK3BMITF
SCHEMBL3708433 0.73 RAB9A (0.49) RAB9ASMN1; SMN2GSK3AGSK3BMITF
SCHEMBL3711165 0.73 RAB9A (0.49) RAB9ASMN1; SMN2GSK3AGSK3BMITF
SCHEMBL4751923 0.73 MAPK1 (0.44) GSK3AGSK3BMITFMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US disclosed
US-9168249-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-28 US disclosed
US-8987261-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8653111-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US disclosed
US-20140038938-A1 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-06 US disclosed
US-20140031329-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 US disclosed
US-8580778-B2 Substituted dihydropyrazolones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
US-8389520-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-05 US disclosed
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-17 US disclosed
US-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER HARMA AKTIENGESELLSCHAFT (DE) 2012-02-09 US disclosed
US-8067407-B2 Substituted dihydropyrazolones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-29 US disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 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 (8 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-20140031329-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK RAB9A 2191/4885SMN1; SMN2 3249/4885GSK3A 2088/4885
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK RAB9A 2191/4885SMN1; SMN2 3249/4885GSK3A 2088/4885
US-20140038938-A1 Substituted dihydropyrazolones and their use GLS, ATP6V1B1, PFKP RAB9A 2183/4885SMN1; SMN2 3307/4885GSK3A 1672/4885
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP RAB9A 2183/4885SMN1; SMN2 3307/4885GSK3A 1672/4885
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, HPGDS RAB9A 1859/4885SMN1; SMN2 3514/4885GSK3A 1527/4885
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK RAB9A 2191/4885SMN1; SMN2 3249/4885GSK3A 2088/4885
US-20120035151-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP RAB9A 2183/4885SMN1; SMN2 3307/4885GSK3A 1672/4885
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK RAB9A 2191/4885SMN1; SMN2 3249/4885GSK3A 2088/4885

“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.