SCHEMBL563726

SCHEMBL563726

Cc1cc(-c2c(C)[nH]n(-c3ccccn3)c2=O)n(-c2ccccn2)n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 14/20 0.63
KDM4E B2RXH2 2/20 0.63
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
GAA P10253 3/20 0.56
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM5A P29375 1/20 0.46
KDM2B Q8NHM5 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
ALKBH3 Q96Q83 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL14041252 0.80 SLC11A2 (0.94) SLC11A2KDM4EGAALMNAKDM5A
SCHEMBL10551890 0.78 SLC11A2 (1.00) SLC11A2KDM4EGAALMNAMEN1
SCHEMBL18134658 0.73 NPC1 (0.63) KDM4ECYP2C9CYP2C19LMNAMEN1
SCHEMBL3598602 0.72 SLC11A2 (0.78) SLC11A2KDM4EGAAKDM5AKDM2B
SCHEMBL3461571 0.69 MAPT (0.56) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6448862 0.69 ALDH1A1 (0.46) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL2571554 0.67 KDM4E (1.00) SLC11A2KDM4EGAAALKBH3MAPK1
SCHEMBL731856 0.67 MEN1 (0.50) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL31199123 0.67 MEN1 (0.50) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12759737 0.67 MEN1 (0.47) KDM4ECYP2C19LMNAMEN1KMT2A

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 38 patents — showing the first 20. 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 claimed
US-8653111-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-18 US claimed
EP-2648518-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-10-16 EP claimed
US-20130253012-A1 Pyrazole Compounds for Controlling Invertebrate Pests BASF SE (DE) 2013-09-26 US claimed
EP-2546253-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR THE TREATMENT OF CARDIOVASCULAR AND HEMATOLOGICAL DISEASES Bayer Intellectual Property GmbH (DE) 2013-01-16 EP claimed
WO-2012076704-A2 PYRAZOLE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2012-06-14 WO claimed
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-17 US claimed
EP-2383269-A2 Substituted Dihydropyrazolones for the treatment of cardiovascular diseases Bayer Pharma AG (DE) 2011-11-02 EP claimed
EP-2084151-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES Bayer HealthCare AG (DE) 2009-08-05 EP claimed
WO-2008067871-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 WO claimed
EP-2383269-B1 Substituted Dihydropyrazolones for the treatment of cardiovascular diseases BAYER IP GMBH (DE) 2017-01-18 EP disclosed
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
EP-2265602-B1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES BAYER IP GMBH (DE) 2015-04-08 EP 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
WO-2009129945-A1 SUBSTITUTED DIHYDROPYRAZOLONES AS INHIBITORS OF HIF-PROLYL-4-HYDROXYLASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 WO disclosed
EP-2084151-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES Bayer HealthCare AG (DE) 2009-08-05 EP disclosed
WO-2008067871-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 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 (6 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-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK SLC11A2 2083/4885KDM4E 973/4885CYP2C9 1749/4885
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP SLC11A2 1764/4885KDM4E 2151/4885CYP2C9 2120/4885
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, HPGDS SLC11A2 1361/4885KDM4E 1366/4885CYP2C9 662/4885
US-20130253012-A1 Pyrazole Compounds for Controlling Invertebrate Pests RTN3, RRS1, RTF1 SLC11A2 4394/4885KDM4E 3482/4885CYP2C9 701/4885
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK SLC11A2 2083/4885KDM4E 973/4885CYP2C9 1749/4885
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK SLC11A2 2083/4885KDM4E 973/4885CYP2C9 1749/4885

“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.