SCHEMBL514359

SCHEMBL514359

c1ccc(-c2ccc(-n3cccn3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.62
MAPK1 P28482 3/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
HDAC4 P56524 1/20 0.48
MGLL Q99685 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44

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
Formamide SCHEMBL28988939 0.89 MAPK1 (0.60) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL17125509 0.88 NOTUM (0.62) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL27250 0.87 NOTUM (0.65) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL4341894 0.87 NOTUM (0.78) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL18473284 0.85 NOTUM (0.47) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL6428811 0.85 NOTUM (0.63) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL28493417 0.85 NOTUM (0.63) NOTUMMAPK1ALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL15510676 0.85 NOTUM (0.63) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL842039 0.85 NOTUM (0.63) NOTUMMAPK1ALDH1A1KDM4EMAPT
SCHEMBL514704 0.85 NOTUM (0.63) NOTUMMAPK1ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1218472-A Pharmaceutically useful compounds ASTRA PHARMA PROD (GB) 1999-06-02 CN claimed
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-11584720-B2 Photoredox-catalyzed direct C-H functionalization of arenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-02-21 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
EP-3109238-B1 PHENYL-PYRAZOLE COMPLEXES OF IRIDIUM UNIV SOUTHERN CALIFORNIA (US) 2019-09-18 EP disclosed
US-10399947-B2 Photoredox-catalyzed direct C—H functionalization of arenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-09-03 US disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 US disclosed
EP-1606296-B1 PHENYL-PYRAZOLE COMPLEXES OF Ir UNIV SOUTHERN CALIFORNIA (US) 2009-08-05 EP disclosed
EP-2062908-A1 Complexes of iridium comprising pyrazolylcarbazole ligands University of Southern California (US) 2009-05-27 EP disclosed
EP-2043970-A2 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-04-08 EP 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
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
WO-2008004088-A2 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-10 WO disclosed
WO-2008004088-A2 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-10 WO disclosed
EP-1606296-A2 PHENYL-PYRAZOLE COMPLEXES OF Ir UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-12-21 EP 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
WO-2004085450-A2 PHENYL-PYRAZOLE COMPLEXES OF IR THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2004-10-07 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 (8 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-11584720-B2 Photoredox-catalyzed direct C-H functionalization of arenes PPOX, AOC2, AOC3 NOTUM 3331/4885MAPK1 3425/4885ALDH1A1 495/4885
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 NOTUM 3367/4885MAPK1 3037/4885ALDH1A1 2031/4885
US-20200388773-A1 Phenyl and Fluorenyl Substituted Phenyl-Pyrazole Complexesof Ir EML4, RCOR3, CPNE4 NOTUM 4244/4885MAPK1 3632/4885ALDH1A1 630/4885
US-10399947-B2 Photoredox-catalyzed direct C—H functionalization of arenes PPOX, AOC2, AOC3 NOTUM 3386/4885MAPK1 3469/4885ALDH1A1 511/4885
US-20080176102-A1 Organic light emitting devices; electroluminescent efficiency, durability; such as tris(1-(4-biphenyl)pyrazolato)iridium complexes EML4, RNF4, LIG4 NOTUM 3476/4885MAPK1 3568/4885ALDH1A1 413/4885
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 NOTUM 3331/4885MAPK1 3425/4885ALDH1A1 495/4885
US-10741775-B2 Phenyl and fluorenyl substituted phenyl-pyrazole complexes of Ir EML4, AFF4, RCOR3 NOTUM 4245/4885MAPK1 3319/4885ALDH1A1 664/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 NOTUM 3331/4885MAPK1 3425/4885ALDH1A1 495/4885

“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.