SCHEMBL2977108

SCHEMBL2977108

CC(C)(C)OC(=O)n1ncc2cc(C=O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
ITK Q08881 1/20 0.45
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 2/20 0.45
CHEK2 O96017 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KA3 P51812 1/20 0.45
PAK1 Q13153 1/20 0.45
DYRK1A Q13627 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
TAOK1 Q7L7X3 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
EEF2K O00418 1/20 0.44
MAP4K4 O95819 1/20 0.44
CLK2 P49760 1/20 0.44
GSK3B P49841 1/20 0.44
PRKX P51817 1/20 0.44
NEK4 P51957 1/20 0.44
PRKG2 Q13237 1/20 0.44
PKN2 Q16513 1/20 0.44

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
SCHEMBL3048821 0.90 GPR119 (0.46) EGFRITKROCK2ROCK1CHEK2
SCHEMBL3330463 0.90 CYP2A6 (0.39) EGFRITKROCK2ROCK1CHEK2
SCHEMBL13539429 0.82 SLC22A12 (0.52) EGFRITKROCK2ROCK1CHEK2
SCHEMBL31414297 0.82 ROCK2 (0.49) EGFRITKROCK2ROCK1CHEK2
SCHEMBL20139305 0.82 ROCK2 (0.49) EGFRITKROCK2ROCK1CHEK2
SCHEMBL27664801 0.82 EGFR (0.44) EGFRITKROCK2ROCK1CHEK2
SCHEMBL14503606 0.81 ROCK2 (0.43) EGFRITKROCK2ROCK1CHEK2
SCHEMBL10588 0.81 ROCK2 (0.46) EGFRITKROCK2ROCK1CHEK2
SCHEMBL2481963 0.81 EGFR (0.48) EGFRITKROCK2ROCK1CHEK2
SCHEMBL13165280 0.81 ROCK2 (0.46) EGFRITKROCK2ROCK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025085387-A1 SUBSTITUTED-ALKENYL-INDAZOLES FOR IMAGING AGGREGATED TAU IN TAUOPATHIES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2025-04-24 WO disclosed
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2023-07-13 US disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators BIOSPLICE THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-02-23 US disclosed
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-02-23 US disclosed
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2021-06-15 US disclosed
US-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2020-07-16 US disclosed
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2020-06-11 US disclosed
EP-1730137-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE Bristol-Myers Squibb Company (US) 2006-12-13 EP disclosed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP disclosed
WO-2005095383-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO disclosed
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY 2005-09-29 US disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO disclosed
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
WO-2005000813-A1 HETEROARYLAMINO-PHENYLKETONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-06 WO disclosed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 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 (9 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-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 EGFR 1308/4885ITK 878/4885ROCK2 92/4885
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR EGFR 749/4885ITK 3525/4885ROCK2 2945/4885
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 EGFR 2165/4885ITK 2045/4885ROCK2 2219/4885
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 EGFR 2165/4885ITK 2045/4885ROCK2 2219/4885
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine CALCRL, CALCR, CALCA EGFR 899/4885ITK 2740/4885ROCK2 1824/4885
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 EGFR 1308/4885ITK 878/4885ROCK2 92/4885
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 EGFR 1219/4885ITK 866/4885ROCK2 90/4885
US-11673885-B2 γ-diketones as Wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 EGFR 1203/4885ITK 817/4885ROCK2 90/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR EGFR 749/4885ITK 3525/4885ROCK2 2945/4885

“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.