SCHEMBL564993

SCHEMBL564993

O=c1[nH]n(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.43
SRC P12931 1/20 0.43
MET P08581 1/20 0.41
PARP1 P09874 1/20 0.40
GAA P10253 4/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
BRD4 O60885 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PLK4 O00444 1/20 0.37

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
SCHEMBL3248315 0.88 DYRK1A (0.43) SMN1; SMN2ALDH1A1SRCGAAMAPT
SCHEMBL5963314 0.74 HPGD (0.68) SMN1; SMN2ALDH1A1GAAMAPTKDM4E
SCHEMBL11827884 0.74 BRD4 (0.47) SMN1; SMN2ALDH1A1SRCMETPARP1
SCHEMBL11775647 0.74 SMN1; SMN2 (0.47) SMN1; SMN2GAAMAPTKDM4EPOLB
SCHEMBL11000015 0.72 KDM4E (0.45) SMN1; SMN2ALDH1A1MAPTKDM4EPOLB
SCHEMBL4544224 0.68 SMN1; SMN2 (0.64) SMN1; SMN2GAAKDM4ELMNATSHR
SCHEMBL7713019 0.68 MET (0.54) SMN1; SMN2ALDH1A1SRCMETPARP1
SCHEMBL15850325 0.64 MET (0.58) SMN1; SMN2ALDH1A1METKDM4EHPGD
SCHEMBL3655311 0.63 TSHR (0.48) SMN1; SMN2GAAKDM4ELMNAHSD17B10
SCHEMBL4791698 0.63 TUBB4A (0.44) ALDH1A1HPGDHSD17B10TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2097404-B1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-27 EP disclosed
EP-2089380-B1 SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS BAYER IP GMBH (DE) 2016-06-29 EP disclosed
US-9168249-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-27 US disclosed
US-9085572-B2 4-(pyridin-3-yl)-2(pyridin-2yl)-1,2-dihydro-3H-pyrazol-3-one derivatives as specific HIF-pyrolyl-4-hydroxylase inhibitors for treating cardiovascular and haematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-21 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-8987261-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2546253-B1 SUBSTITUTED DIHYDROPYRAZOLONES FOR THE TREATMENT OF CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER IP GMBH (DE) 2015-01-14 EP disclosed
EP-2383269-A2 Substituted Dihydropyrazolones for the treatment of cardiovascular diseases Bayer Pharma AG (DE) 2011-11-02 EP disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERRING PHARMA AKTIENGELLSCHAFT (DE) 2010-04-15 US disclosed
WO-2010015656-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
WO-2010015656-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
US-20100035906-A1 Dipyridyl-dihydropyrazolones and their use BAYER HEALTHCARE AG (DE) 2010-02-11 US disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 US disclosed
EP-1877396-B1 4-(PYRIDIN-3-YL)-2-(PYRIDIN-2-YL)-1,2-DIHYDRO-3H-PYRAZOL-3-ONE DERIVATIVES AS SPECIFIC HIF-PROLYL-4-HYDROXYLASE INHIBITORS FOR TREATING CARDIOVASCULAR AND HAEMATOLOGICAL DISEASES BAYER HEALTHCARE AG (DE) 2009-02-18 EP 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 SMN1; SMN2 3249/4885ALDH1A1 203/4885SRC 257/4885
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF DCK, THPO, QDPR SMN1; SMN2 3690/4885ALDH1A1 722/4885SRC 238/4885
US-20100035906-A1 Dipyridyl-dihydropyrazolones and their use DPP7, DPP4, QDPR SMN1; SMN2 3596/4885ALDH1A1 798/4885SRC 439/4885
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP SMN1; SMN2 3307/4885ALDH1A1 454/4885SRC 696/4885
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, HPGDS SMN1; SMN2 3514/4885ALDH1A1 78/4885SRC 889/4885
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK SMN1; SMN2 3249/4885ALDH1A1 203/4885SRC 257/4885

“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.