SCHEMBL68829

SCHEMBL68829

Nc1ccc(-c2ccccc2)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.64
PIK3CD O00329 4/20 0.59
MKNK1 Q9BUB5 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
LTA4H P09960 1/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CYP3A4 P08684 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL29568613 1.00 MAP4K4 (0.64) MAP4K4PIK3CDMKNK1MKNK2LTA4H
SCHEMBL20704158 0.98 MAP4K4 (0.62) MAP4K4PIK3CDMKNK1MKNK2LTA4H
SCHEMBL17027804 0.92 MAP4K4 (0.72) MAP4K4PIK3CDMKNK1MKNK2LTA4H
SCHEMBL30337416 0.90 PIK3CD (0.70) MAP4K4PIK3CDMKNK1MKNK2LTA4H
SCHEMBL29740321 0.87 PIK3CD (0.73) MAP4K4PIK3CDMKNK1MKNK2LTA4H
SCHEMBL1257460 0.87 PIK3CD (0.73) MAP4K4PIK3CDMKNK1MKNK2LTA4H
SCHEMBL21190373 0.86 PIK3CD (0.50) MAP4K4PIK3CDMKNK1MKNK2LTA4H
SCHEMBL29504964 0.85 MAP4K4 (0.50) MAP4K4PIK3CDMKNK1MKNK2LTA4H
SCHEMBL1256963 0.83 PIK3CD (0.61) MAP4K4PIK3CDMKNK1MKNK2LTA4H
SCHEMBL30502351 0.83 PIK3CD (0.61) MAP4K4PIK3CDMKNK1MKNK2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113694906-B Magnetic sulfonic acid functionalized Fe 3 O 4 @SHCP adsorbent and preparation method and application thereof 桂林医学院附属医院 2023-10-24 CN claimed
CN-116671604-A Coating for inhibiting formation of harmful substances in processing process of roast chicken and preparation method thereof 湖南农业大学长沙现代食品创新研究院 2023-09-01 CN claimed
CN-112881568-A Method for simultaneously determining multiple associated harmful substances in food thermal processing 大连工业大学 2021-06-01 CN claimed
CN-104262244-B A kind of 5-phenylpyridine-2-amine Bcr-Abl inhibitor and its preparation method and application Xi''an Jiao Tong University (CN) 2017-01-04 CN claimed
CN-104262244-A 5-phenylpyridine-2-amine Bcr-Abl inhibitors as well as preparation method and application thereof UNIV XI AN JIAOTONG 2015-01-07 CN claimed
US-20030144518-A1 Process for preparing 3-acylamino-imidazo[1,2-a]pyridines THE PROCTER & GAMBLE COMPANY 2003-07-31 US claimed
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO claimed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US claimed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO claimed
JP-11071372-A None JP disclosed
CN-122079881-A Pyridone derivatives and uses thereof 2026-05-26 CN disclosed
EP-4615839-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2025-09-17 EP disclosed
US-20250263404-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE UCL BUSINESS LTD (GB) 2025-08-21 US disclosed
US-12391663-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS AG (CH) 2025-08-19 US disclosed
EP-0098684-A2 Modified chichibabin reaction, and novel pyridine derivatives REILLY INDUSTRIES, INC. (US) 1984-01-18 EP disclosed
US-4405552-A INSECTICIDES ELI LILLY AND COMPANY (US) 1983-09-20 US disclosed
US-4386209-A Chichibabin reaction REILLY TAR & CHEMICAL CORPORATION (US) 1983-05-31 US disclosed
EP-0060071-A1 Improvements in or relating to 1-benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1982-09-15 EP disclosed
US-4192944-A ANTIANAPHYLACTIC BRISTOL-MYERS COMPANY (US) 1980-03-11 US disclosed
US-4122274-A ANTIALLERGY BRISTOL-MYERS COMPANY (US) 1978-10-24 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 (3 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-20030144518-A1 Process for preparing 3-acylamino-imidazo[1,2-a]pyridines CBR1, PTGS1, CBR3 MAP4K4 2598/4885PIK3CD 3111/4885MKNK1 4399/4885
US-12391663-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 MAP4K4 3212/4885PIK3CD 3205/4885MKNK1 3289/4885
US-20250263404-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE PIK3CD, PTEN, PIK3CG MAP4K4 295/4885PIK3CD 1/4885MKNK1 307/4885

“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.