SCHEMBL565271

SCHEMBL565271

O=c1ccn(-c2ccccn2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
DAPK3 O43293 1/20 0.50
JAK2 O60674 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 1/20 0.50
FYN P06241 1/20 0.50
CSF1R P07333 1/20 0.50
RET P07949 1/20 0.50
IGF1R P08069 1/20 0.50
MET P08581 1/20 0.50
PDGFRB P09619 1/20 0.50
PIM1 P11309 1/20 0.50
FGFR1 P11362 1/20 0.50
PDGFRA P16234 1/20 0.50
PRKACA P17612 1/20 0.50

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
SCHEMBL7977989 0.73 CRBN (0.55) SMN1; SMN2CHEK1AURKADAPK3JAK2
SCHEMBL563925 0.68 MET (0.48) SMN1; SMN2CHEK1AURKADAPK3JAK2
SCHEMBL28379997 0.67 SMN1; SMN2 (0.55) SMN1; SMN2CHEK1AURKADAPK3JAK2
SCHEMBL2466263 0.67 SMN1; SMN2 (0.50) SMN1; SMN2CHEK1AURKADAPK3JAK2
SCHEMBL6643900 0.67 CHEK1 (1.00) SMN1; SMN2CHEK1AURKADAPK3JAK2
SCHEMBL3265613 0.67 CHEK1 (0.67) SMN1; SMN2CHEK1AURKADAPK3JAK2
SCHEMBL7601190 0.67 CHEK1 (0.58) SMN1; SMN2CHEK1AURKADAPK3JAK2
SCHEMBL28165235 0.66 SMN1; SMN2 (0.61) SMN1; SMN2GAAMAPK1EP300KAT2B
SCHEMBL29359720 0.66 SMN1; SMN2 (0.44) SMN1; SMN2CHEK1AURKADAPK3JAK2
SCHEMBL8922770 0.66 GAA (0.46) SMN1; SMN2CHEK1AURKADAPK3JAK2

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
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
CN-103342696-B Substituted dihydropyrazolon for treating cardiovascular and haematological diseases BAYER SCHERING PHARMA AG 2015-03-11 CN disclosed
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF BAYER SCHERRING PHARMA AKTIENGELLSCHAFT (DE) 2010-04-15 US disclosed
US-20100035906-A1 Dipyridyl-dihydropyrazolones and their use BAYER HEALTHCARE AG (DE) 2010-02-11 US disclosed
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 US disclosed
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 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
EP-1458383-B1 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-11-21 EP disclosed
EP-1458383-A4 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-05-25 EP disclosed
US-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME LLC 2005-02-03 US disclosed
EP-1458383-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-09-22 EP disclosed
WO-2003051833-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-06-26 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 SMN1; SMN2 3249/4885CHEK1 1867/4885AURKA 2818/4885
US-20100093803-A1 SUBSTITUTED DIPYRIDYL-DIHYDROPYRAZOLONES AND USE THEREOF DCK, THPO, QDPR SMN1; SMN2 3690/4885CHEK1 2001/4885AURKA 3634/4885
US-20100035906-A1 Dipyridyl-dihydropyrazolones and their use DPP7, DPP4, QDPR SMN1; SMN2 3596/4885CHEK1 2450/4885AURKA 3542/4885
US-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2C SMN1; SMN2 4541/4885CHEK1 4231/4885AURKA 3004/4885
US-20090269420-A1 SUBSTITUTED DIHYDROPYRAZOLONES AND THEIR USE GLS, ATP6V1B1, PFKP SMN1; SMN2 3307/4885CHEK1 1972/4885AURKA 4038/4885
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK SMN1; SMN2 3249/4885CHEK1 1867/4885AURKA 2818/4885

“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.