SCHEMBL515503

SCHEMBL515503

c1ccc(-c2cnn(-c3ccccc3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
GRM4 Q14833 10/20 0.56
HTR2B P41595 1/20 0.54
MTNR1A P48039 1/20 0.54
KCNH2 Q12809 1/20 0.54
HPGDS O60760 1/20 0.53
ALKBH2 Q6NS38 1/20 0.53
HSP90AA1 P07900 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
MELK Q14680 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
GRM2 Q14416 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL17736002 0.98 GAA (0.57) GAAGRM4HTR2BMTNR1AKCNH2
SCHEMBL513941 0.94 GAA (0.52) GAAGRM4HTR2BMTNR1AKCNH2
SCHEMBL12235677 0.87 GRM4 (0.56) GAAGRM4HTR2BMTNR1AKCNH2
SCHEMBL2189185 0.87 GAA (0.50) GAAGRM4HTR2BMTNR1AKCNH2
SCHEMBL1129152 0.87 ALDH1A1 (0.48) GAAGRM4HTR2BMTNR1AKCNH2
SCHEMBL18999306 0.84 GRM4 (0.50) GAAGRM4HTR2BMTNR1AKCNH2
SCHEMBL18999326 0.84 GRM4 (0.50) GAAGRM4HTR2BMTNR1AKCNH2
SCHEMBL23144535 0.82 MAOA (0.53) GAAGRM4HTR2BMTNR1AKCNH2
SCHEMBL20560807 0.82 MEN1 (0.46) GAAGRM4HTR2BMTNR1AKCNH2
SCHEMBL5990519 0.82 MAPKAPK2 (0.64) GAAGRM4KCNH2L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101429219-A Phenyl-pyrazole complexes of Ir UNIV SOUTHERN CALIFORNIA (US) 2009-05-13 CN claimed
CN-100387607-C Phenyl-pyrazole complexes of Ir UNIV SOUTHERN CALIFORNIA (US) 2008-05-14 CN claimed
CN-116655536-A Class N 1 -aryl-3-fluoroalkyl-5-fluoropyrazole compound, and preparation method and application thereof 天津大学 2023-08-29 CN disclosed
US-20230000982-A1 COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING NOVEL TRIFLUOROMETHYL PHENYL PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT KOREA INSTITUTE OF RADIOLOGICAL & MEDICAL SCIENCES (KR) 2023-01-05 US disclosed
US-20200388773-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexesof Ir UNIV SOUTHERN CALIFORNIA (US) 2020-12-10 US disclosed
US-20200388773-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexesof Ir UNIV SOUTHERN CALIFORNIA (US) 2020-12-10 US disclosed
US-10741775-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2020-08-11 US disclosed
US-10741775-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2020-08-11 US disclosed
EP-3109238-B1 PHENYL-PYRAZOLE COMPLEXES OF IRIDIUM UNIV SOUTHERN CALIFORNIA (US) 2019-09-18 EP disclosed
US-9972802-B2 Organic electroluminescent element Konica Minolta, Inc. (JP) 2018-05-15 US disclosed
US-20180019413-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexes of Ir UNIV SOUTHERN CALIFORNIA (US) 2018-01-18 US disclosed
US-20080176102-A1 Organic light emitting devices; electroluminescent efficiency, durability; such as tris(1-(4-biphenyl)pyrazolato)iridium complexes THOMPSON MARK E 2008-07-24 US disclosed
CN-100387607-C Phenyl-pyrazole complexes of Ir UNIV SOUTHERN CALIFORNIA (US) 2008-05-14 CN disclosed
US-7338722-B2 Iridium; phosphorescent, electroluminescent efficiencies in organic light emitting device; longer lifetimes, stability, efficiency in red, green and blue; one ligand has triplet energy corresponding to a wavelength 80 nm greater than wavelength corresponding to triplet energy of the other ligands; THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-03-04 US disclosed
CN-1788012-A Phenyl-pyrazole complexes of Ir UNIV SOUTHERN CALIFORNIA (US) 2006-06-14 CN disclosed
US-20040253478-A1 Iridium; phosphorescent, electroluminescent efficiencies in organic light emitting device; longer lifetimes, stability, efficiency in red, green and blue; one ligand has triplet energy corresponding to a wavelength 80 nm greater than wavelength corresponding to triplet energy of the other ligands; UNIVERSITY OF SOUTHERN CALIFORNIA, THE 2004-12-16 US disclosed
US-4058391-A 1,2-Dialkyl-3,4,5-trisubstituted pyrazolium salts as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1977-11-15 US disclosed
US-4041046-A INTERMEDIATES FOR THE CORRESPONDING HERBICIDAL PYRAZOLIUM SALTS ON AMERICAN CYANAMID COMPANY (US) 1977-08-09 US disclosed
US-4009277-A 1,2-Dialkyl-3,4,5-trisubstituted pyrazolium salts as fungicidal agents AMERICAN CYANAMID COMPANY (US) 1977-02-22 US disclosed
US-3963742-A 1,2-Dialkyl-3,4,5-trisubstituted pyrazolium salts as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1976-06-15 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 (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-20040253478-A1 Iridium; phosphorescent, electroluminescent efficiencies in organic light emitting device; longer lifetimes, stability, efficiency in red, green and blue; one ligand has triplet energy corresponding to a wavelength 80 nm greater than wavelength corresponding to triplet energy of the other ligands; NR2E3, IK, NR2C2 GAA 4786/4885GRM4 602/4885HTR2B 3042/4885
US-20200388773-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexesof Ir EML4, RCOR3, CPNE4 GAA 4601/4885GRM4 259/4885HTR2B 1325/4885
US-20180019413-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexes of Ir EML4, AFF4, RCOR3 GAA 4560/4885GRM4 237/4885HTR2B 1155/4885
US-20080176102-A1 Organic light emitting devices; electroluminescent efficiency, durability; such as tris(1-(4-biphenyl)pyrazolato)iridium complexes EML4, RNF4, LIG4 GAA 4678/4885GRM4 127/4885HTR2B 2741/4885
US-20230000982-A1 COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING NOVEL TRIFLUOROMETHYL PHENYL PYRAZOLE DERIVATIVE AS ACTIVE INGREDIENT CASP3, API5, HDAC1 GAA 3740/4885GRM4 4609/4885HTR2B 4357/4885
US-10741775-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir EML4, AFF4, RCOR3 GAA 4560/4885GRM4 237/4885HTR2B 1155/4885

“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.