SCHEMBL4063789

SCHEMBL4063789

c1ccc(-c2ccc(-c3c[nH]cn3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
RAB9A P51151 6/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX12 P18054 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
IDO1 P14902 1/20 0.38
METAP2 P50579 1/20 0.38
KEAP1 Q14145 1/20 0.38
XDH P47989 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
SCHEMBL37563 0.96 KMT2A (0.42) AKT1AKT2RAB9AKMT2AMEN1
Water SCHEMBL28123763 0.93 KMT2A (0.41) AKT1AKT2RAB9AKMT2AMEN1
Hydrochloric Acid SCHEMBL11060859 0.93 KMT2A (0.41) AKT1AKT2RAB9AKMT2AMEN1
Bromide SCHEMBL28947954 0.93 KMT2A (0.41) AKT1AKT2RAB9AKMT2AMEN1
Water SCHEMBL28124252 0.91 KMT2A (0.39) AKT1AKT2RAB9AKMT2AMEN1
Water SCHEMBL28124251 0.91 KMT2A (0.39) AKT1AKT2RAB9AKMT2AMEN1
SCHEMBL20054187 0.91 AKT1 (0.30) AKT1AKT2
SCHEMBL14564388 0.86 KMO (0.44) AKT1AKT2RAB9ANPC1SMN1; SMN2
Isopropyl Alcohol SCHEMBL27548121 0.84 RAB9A (0.38) AKT1AKT2RAB9AKMT2AMEN1
Succinic Acid SCHEMBL29123713 0.81 FFAR1 (0.43) RAB9ASMN1; SMN2ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240268216-A1 TETRADENTATE PLATINUM AND PALLADIUM COMPLEX EMITTERS CONTAINING PHENYL-PYRAZOLE AND ITS ANALOGUES UNIV ARIZONA STATE (US) 2024-08-08 US disclosed
US-11930698-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2024-03-12 US disclosed
US-20230115701-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES UNIV ARIZONA STATE (US) 2023-04-13 US disclosed
US-20210111355-A1 Tetradentate Platinum And Palladium Complex Emitters Containing Phenyl-Pyrazole And Its Analogues UNIV ARIZONA STATE (US) 2021-04-15 US disclosed
US-20210111355-A1 Tetradentate Platinum And Palladium Complex Emitters Containing Phenyl-Pyrazole And Its Analogues UNIV ARIZONA STATE (US) 2021-04-15 US disclosed
US-10937976-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-03-02 US disclosed
US-10937976-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2021-03-02 US disclosed
US-20210024559-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES UNIV ARIZONA STATE (US) 2021-01-28 US disclosed
US-10836785-B2 Tetradentate and octahedral metal complexes containing naphthyridinocarbazole and its analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2020-11-17 US disclosed
US-20190013485-A1 Tetradentate Platinum And Palladium Complex Emitters Containing Phenyl-Pyrazole And Its Analogues ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2019-01-10 US disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 WO disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed
US-5773428-A BONE DISORDERS SYNTEX (U.S.A.) INC. (US) 1998-06-30 US disclosed
EP-0807114-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-11-19 EP disclosed
WO-1996023791-A1 BRIDGED INDOLES AS MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-08-08 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 (10 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-20210111355-A1 Tetradentate Platinum And Palladium Complex Emitters Containing Phenyl-Pyrazole And Its Analogues PDCD1, PDCD11, TYMP AKT1 3904/4885AKT2 3876/4885RAB9A 1375/4885
US-10836785-B2 Tetradentate and octahedral metal complexes containing naphthyridinocarbazole and its analogues PAICS, DNTT, PNPO AKT1 4737/4885AKT2 4773/4885RAB9A 3727/4885
US-20190013485-A1 Tetradentate Platinum And Palladium Complex Emitters Containing Phenyl-Pyrazole And Its Analogues PDCD1, PDCD11, HPRT1 AKT1 3916/4885AKT2 3910/4885RAB9A 1427/4885
US-20230115701-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES PAICS, DNTT, PNPO AKT1 4737/4885AKT2 4773/4885RAB9A 3727/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 AKT1 600/4885AKT2 1377/4885RAB9A 1243/4885
US-20240268216-A1 TETRADENTATE PLATINUM AND PALLADIUM COMPLEX EMITTERS CONTAINING PHENYL-PYRAZOLE AND ITS ANALOGUES PDCD1, PDCD11, TYMP AKT1 3904/4885AKT2 3876/4885RAB9A 1375/4885
US-11930698-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues PDCD1, PDCD11, TYMP AKT1 3904/4885AKT2 3876/4885RAB9A 1375/4885
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 AKT1 1740/4885AKT2 1202/4885RAB9A 1037/4885
US-10937976-B2 Tetradentate platinum and palladium complex emitters containing phenyl-pyrazole and its analogues PDCD1, PDCD11, TYMP AKT1 3904/4885AKT2 3876/4885RAB9A 1375/4885
US-20210024559-A1 TETRADENTATE AND OCTAHEDRAL METAL COMPLEXES CONTAINING NAPHTHYRIDINOCARBAZOLE AND ITS ANALOGUES PAICS, DNTT, PNPO AKT1 4737/4885AKT2 4773/4885RAB9A 3727/4885

“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.