SCHEMBL965596

SCHEMBL965596

NNC(=O)Cc1cccc(F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.58
MAPK8 P45983 1/20 0.56
SRC P12931 1/20 0.52
RAB9A P51151 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CNR2 P34972 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
GLS O94925 2/20 0.50
KCNQ2 O43526 1/20 0.50
ANO1 Q5XXA6 1/20 0.48
MAPK1 P28482 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
NAMPT P43490 1/20 0.47
PRKACA P17612 1/20 0.47
ROCK1 Q13464 1/20 0.47

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
SCHEMBL7194491 0.87 AOC2 (0.67) AOC2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL3492090 0.83 CYP1A2 (0.54) RAB9AMEN1KMT2ACYP1A2CYP3A4
SCHEMBL13329762 0.82 SRC (0.52) MAPK8SRCRAB9AMEN1KMT2A
SCHEMBL964757 0.81 MAPK8 (0.50) AOC2MAPK8MEN1KMT2ACYP1A2
SCHEMBL18768377 0.80 NAMPT (0.55) MAPK8SRCRAB9AMEN1KMT2A
SCHEMBL2951157 0.80 AOC2 (0.59) AOC2KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL27099073 0.80 AOC2 (0.59) AOC2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL27208476 0.80 AOC2 (0.59) AOC2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL2029757 0.79 MAPK8 (0.52) MAPK8TAAR1
SCHEMBL6867356 0.79 MEN1 (0.68) AOC2MAPK8RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 US disclosed
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 US disclosed
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 US disclosed
CN-114989131-B N' - (2- (benzo [1,3] dioxolan-5-yl) acyl) aryl hydrazide compound as well as synthesis and application thereof 云南大学 2023-10-24 CN disclosed
EP-3634406-B1 3,4,5-TRISUBSTITUTED-1,2,4-TRIAZOLES AND 3,4,5-TRISUBSTITUTED-3-THIO-1,2,4-TRIAZOLES AND USES THEREOF BOARD OF TRUSTEES OF THE SOUTHERN ILLINOIS UNIV ON BEHALF OF SOUTHERN ILLINOIS UNIV EDWARDSVILLE (US) 2023-09-06 EP disclosed
EP-3634406-B1 3,4,5-TRISUBSTITUTED-1,2,4-TRIAZOLES AND 3,4,5-TRISUBSTITUTED-3-THIO-1,2,4-TRIAZOLES AND USES THEREOF BOARD OF TRUSTEES OF THE SOUTHERN ILLINOIS UNIV ON BEHALF OF SOUTHERN ILLINOIS UNIV EDWARDSVILLE (US) 2023-09-06 EP disclosed
CN-114989131-A N' - (2- (benzo [1,3] dioxolane-5-yl) acyl) aroyl hydrazide compound and synthesis and application thereof 云南大学 2022-09-02 CN disclosed
US-20220002274-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof Board of Trustees of the Southern Illinois University (US) 2022-01-06 US disclosed
US-20220002274-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof Board of Trustees of the Southern Illinois University (US) 2022-01-06 US disclosed
US-11136312-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2021-10-05 US disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed
US-8334309-B2 Heterocyclic indazole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-18 US disclosed
US-20110190355-A1 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-04 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
WO-2008138448-A2 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-11-20 WO disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR AOC2 4360/4885MAPK8 2537/4885SRC 1763/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR AOC2 4360/4885MAPK8 2537/4885SRC 1763/4885
US-20110190355-A1 HETEROCYCLIC INDAZOLE DERIVATIVES SGK3, SGK2, SGK1 AOC2 4406/4885MAPK8 1602/4885SRC 827/4885
US-11136312-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof SSTR4, SSTR3, SSTR5 AOC2 3320/4885MAPK8 1881/4885SRC 2366/4885
US-20220002274-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof SSTR4, SSTR3, SSTR5 AOC2 3320/4885MAPK8 1881/4885SRC 2366/4885
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof SSTR4, SSTR5, SSTR3 AOC2 2790/4885MAPK8 1883/4885SRC 2525/4885

“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.