SCHEMBL80566

SCHEMBL80566

[c]1cccc2ncncc12

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.47
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL17511899 0.74 EGFR (0.47) EGFRPIK3CDPIK3CA
SCHEMBL17511898 0.74 EGFR (0.47) EGFRPIK3CDPIK3CA
SCHEMBL3942457 0.70 EGFR (0.35) EGFR
SCHEMBL18594 0.70 ALDH1A1 (0.44)
SCHEMBL16358 0.68 SIGMAR1 (0.31)
SCHEMBL1451430 0.68 MAP4K4 (0.34)
SCHEMBL5071855 0.68 CYP1A2 (0.50)
SCHEMBL28904201 0.68 DYRK1A (0.40)
SCHEMBL1260006 0.68 LMNA (0.36)
SCHEMBL12471686 0.68 DCPS (0.38)

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 1654 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US claimed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US claimed
WO-2024040497-A1 ANTIVIRAL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 清华大学 2024-02-29 WO claimed
CN-113166119-B Substituted aryl compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-01-05 CN claimed
CN-114957110-A Antiviral compound and preparation method and application thereof 清华大学 2022-08-30 CN claimed
EP-3904352-A1 SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-11-03 EP claimed
CN-113166119-A Substituted aryl compound and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-07-23 CN claimed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US claimed
CN-103339133-B 2 of alkoxyl replacement, 3-glyoxalidine is [1,2-c] quinazoline also 拜耳知识产权有限责任公司 2016-06-15 CN claimed
EP-0944628-B1 HETERO-BIARYL-PYRIDOQUINAZOLINONE DERIVATIVES AS ANTI-CANCER AGENTS AMERICAN CYANAMID CO (US) 2002-06-05 EP claimed
EP-0751944-B1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2000-12-20 EP claimed
EP-0944628-A1 HETERO-BIARYL-PYRIDOQUINAZOLINONE DERIVATIVES AS ANTI-CANCER AGENTS American Cyanamid Company (US) 1999-09-29 EP claimed
US-5955481-A Pyridine type thiazolidines NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-21 US claimed
WO-1998023617-A1 HETERO-BIARYL-PYRIDOQUINAZOLINONE DERIVATIVES AS ANTI-CANCER AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-04 WO claimed
EP-0822187-A1 PYRAZOLE DERIVATIVES AND HERBICIDES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-02-04 EP claimed
US-5672504-A TREATING MIXED EPOXIDE ENANTIOMORPHS WITH MICROORGANISMS TO INCREASE CONCENTRATION OF OPTICALLY PURE S-ENANTIOMORPHS DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-09-30 US claimed
CN-1144526-A Thiazolidines and oxazolidines substituted by pyridine ring and their use a hypoglycemic agents NISSAN CHEMICAL IND LTD (JP) 1997-03-05 CN claimed
EP-0751944-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-01-08 EP claimed
WO-1995026347-A1 THIAZOLIDINES AND OXAZOLIDINES SUBSTITUTED BY A PYRIDINE RING AND THEIR USE AS HYPOGLYCEMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS GPX4, GPX1, ACAT1 EGFR 4402/4885PIK3CD 4375/4885PIK3CA 4385/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 EGFR 692/4885PIK3CD 2735/4885PIK3CA 2556/4885

“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.