SCHEMBL3599740

SCHEMBL3599740

NNc1cc(C(F)(F)F)ccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.57
NOS2 P35228 1/20 0.57
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SYK P43405 2/20 0.43
RIOK2 Q9BVS4 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.43
KIF11 P52732 3/20 0.42
NR3C2 P08235 2/20 0.41
PHGDH O43175 1/20 0.41
AURKA O14965 1/20 0.41
IDH2 P48735 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB2 P07550 1/20 0.40

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
Hydrochloric Acid SCHEMBL28529712 0.98 NOS3 (0.55) NOS3NOS2MAPK1ALDH1A1GAA
Ethoxycarbonyl Group SCHEMBL28284394 0.81 L3MBTL1 (0.52) NOS3NOS2MAPK1ALDH1A1GAA
SCHEMBL14768765 0.80 NOS3 (0.52) NOS3NOS2MAPK1ALDH1A1GAA
SCHEMBL27768801 0.80 NOS3 (0.52) NOS3NOS2MAPK1ALDH1A1GAA
SCHEMBL27788384 0.80 ALDH1A1 (0.40) NOS3NOS2MAPK1ALDH1A1GAA
SCHEMBL1443246 0.80 NOS3 (0.52) NOS3NOS2MAPK1ALDH1A1GAA
SCHEMBL18469885 0.80 NOS3 (0.52) NOS3NOS2MAPK1ALDH1A1GAA
Hydrochloric Acid SCHEMBL28908521 0.78 NOS3 (0.50) NOS3NOS2MAPK1ALDH1A1GAA
Hydrochloric Acid SCHEMBL29112824 0.78 NOS3 (0.50) NOS3NOS2MAPK1ALDH1A1GAA
SCHEMBL24852137 0.78 NR3C2 (0.63) NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed
CN-113773246-B Preparation method of 2-substituted-4-trifluoromethylpyridine 山东省农药科学研究院 2023-03-31 CN disclosed
CN-113773246-A Preparation method of 2-substituted-4-trifluoromethylpyridine 山东省农药科学研究院 2021-12-10 CN disclosed
US-20160229858-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-11 US 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-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
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-28 US disclosed
CN-101213189-B 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 2011-06-22 CN disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
US-20100035906-A1 Dipyridyl-dihydropyrazolones and their use BAYER HEALTHCARE AG (DE) 2010-02-11 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
WO-2008118790-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-10-02 WO disclosed
US-20080234327-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US disclosed
CN-101213189-A 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) 2008-07-02 CN disclosed
EP-1877396-A1 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) 2008-01-16 EP disclosed
WO-2006114213-A1 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) 2006-11-02 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 (5 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 NOS3 1490/4885NOS2 2002/4885MAPK1 1657/4885
US-20080234327-A1 DIHYDROINDAZOLE COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC40A1, HAMP NOS3 474/4885NOS2 766/4885MAPK1 4063/4885
US-20100035906-A1 Dipyridyl-dihydropyrazolones and their use DPP7, DPP4, QDPR NOS3 817/4885NOS2 777/4885MAPK1 2363/4885
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, HPGDS NOS3 550/4885NOS2 596/4885MAPK1 1183/4885
US-20150148381-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES THPO, PFKP, DCK NOS3 1490/4885NOS2 2002/4885MAPK1 1657/4885

“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.