SCHEMBL3874722

SCHEMBL3874722

NNc1ncnc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.61
ABCG2 Q9UNQ0 2/20 0.61
DAPK3 O43293 1/20 0.61
MAP4K4 O95819 1/20 0.61
ABL1 P00519 1/20 0.61
ERBB2 P04626 1/20 0.61
PIM1 P11309 1/20 0.61
PRKACA P17612 1/20 0.61
LTK P29376 1/20 0.61
MAPK8 P45983 1/20 0.61
CSNK1A1 P48729 1/20 0.61
RPS6KA3 P51812 1/20 0.61
LIMK1 P53667 1/20 0.61
MAP2K1 Q02750 1/20 0.61
ACVR1 Q04771 1/20 0.61
TYRO3 Q06418 1/20 0.61
MAP4K2 Q12851 1/20 0.61
ROCK1 Q13464 1/20 0.61
DYRK1A Q13627 1/20 0.61
MAPK14 Q16539 1/20 0.61

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
SCHEMBL30317647 1.00 EGFR (0.61) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL8976752 0.83 EGFR (0.78) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL27645454 0.79 EGFR (0.61) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL883724 0.79 EGFR (0.61) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL18552030 0.79 EGFR (0.61) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL27411128 0.76 LMNA (0.58) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL29941271 0.76 EGFR (1.00) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL8920 0.76 EGFR (1.00) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL4424939 0.76 ADORA3 (0.56) EGFRABCG2DAPK3MAP4K4ABL1
SCHEMBL4751092 0.76 ADORA3 (0.56) EGFRABCG2DAPK3MAP4K4ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118348106-A Application of 4-hydrazinoquinazoline in mass spectrometry detection and mass spectrometry detection method of carbonyl-containing micromolecules 中国科学院化学研究所 2024-07-16 CN claimed
US-12611404-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CHEMOCENTRYX, INC. (US) 2026-04-28 US disclosed
EP-4596537-A1 NOVEL FLUORENE DERIVATIVE COMPOUND AND USE THEREOF JD Bioscience Inc. (KR) 2025-08-06 EP disclosed
CN-118348106-A Application of 4-hydrazinoquinazoline in mass spectrometry detection and mass spectrometry detection method of carbonyl-containing micromolecules 中国科学院化学研究所 2024-07-16 CN disclosed
CN-118348106-A Application of 4-hydrazinoquinazoline in mass spectrometry detection and mass spectrometry detection method of carbonyl-containing micromolecules 中国科学院化学研究所 2024-07-16 CN disclosed
CN-118348106-A Application of 4-hydrazinoquinazoline in mass spectrometry detection and mass spectrometry detection method of carbonyl-containing micromolecules 中国科学院化学研究所 2024-07-16 CN disclosed
CN-117999075-A Compounds and pharmaceutical compositions comprising inhibitors of amyloid peptide interaction with glycosaminoglycans, methods of treatment, and uses thereof 吉斯莫治疗股份有限公司 2024-05-07 CN disclosed
WO-2024071629-A1 NOVEL FLUORENE DERIVATIVE COMPOUND AND USE THEREOF (주)제이디바이오사이언스 2024-04-04 WO disclosed
US-20220047575-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CHEMOCENTRYX, INC. 2022-02-17 US disclosed
EP-3738958-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR(9) ANTAGONISTS ChemoCentryx, Inc. (US) 2020-11-18 EP disclosed
US-20060160848-A1 Method of controlling damage mediated by alpha, beta-unsaturated aldehydes ADELAIDE, THE UNIVERSITY OF (AU) 2006-07-20 US disclosed
US-20060122178-A1 Compounds having activity as inhibitors of apoptosis REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2006-06-08 US disclosed
WO-2006002473-A1 METHOD OF CONTROLLING DAMAGE MEDIATED BY ALPHA, BETA-UNSATURATED ALDEHYDES ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2006-01-12 WO disclosed
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed
EP-0313630-B1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME DEUTSCHES AUSSÄTZIGEN HILFSWERK E.V. (DE) 1992-09-16 EP disclosed
US-5084458-A Bactericides, malaria and antitumor agents SCHAPER KLAUS JUERGEN (DE) 1992-01-28 US disclosed
US-4997835-A Bactericides, malaria, antitumor SCHAPER KLAUS JUERGEN (DE) 1991-03-05 US disclosed
EP-0313630-A1 SUBSTITUTED 2-ACYLPYRIDIN-ALPHA-(N)-HETARYLHYDRAZONES AND MEDICAMENTS CONTAINING SAME. DEUTSCHES AUSSATZIGEN HILFSWER (DE) 1989-05-03 EP disclosed
US-4053600-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS SANDOZ, INC. (US) 1977-10-11 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 (4 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-12611404-B2 Aza-aryl 1H-pyrazol-1-yl benzene sulfonamides CCR1, CCR9, CCR8 EGFR 2287/4885ABCG2 1778/4885DAPK3 3116/4885
US-20060160848-A1 Method of controlling damage mediated by alpha, beta-unsaturated aldehydes ALDH2, ALDH1A1, HACL2 EGFR 4323/4885ABCG2 2655/4885DAPK3 362/4885
US-20060122178-A1 Compounds having activity as inhibitors of apoptosis BAD, CASP3, BAX EGFR 2234/4885ABCG2 2650/4885DAPK3 70/4885
US-20220047575-A1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES CCR9, CCR1, CCR3 EGFR 4198/4885ABCG2 1704/4885DAPK3 1256/4885

“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.