SCHEMBL93699

SCHEMBL93699

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
NUAK1 O60285 2/20 1.00
NUAK2 Q9H093 2/20 1.00
JAK2 O60674 2/20 1.00
BLK P51451 2/20 1.00
BMX P51813 2/20 1.00
JAK3 P52333 2/20 1.00
CTSC P53634 2/20 1.00
PLK4 O00444 1/20 1.00
GAK O14976 1/20 1.00
FLT3 P36888 1/20 1.00
PTK2 Q05397 1/20 1.00
BTK Q06187 1/20 1.00
ITK Q08881 1/20 1.00
ERBB4 Q15303 1/20 1.00
DCLK3 Q9C098 1/20 1.00
EML4 Q9HC35 1/20 1.00
EIF2AK4 Q9P2K8 1/20 1.00
ALK Q9UM73 1/20 1.00

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
SCHEMBL29733655 1.00 EGFR (1.00) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL29354966 1.00 EGFR (1.00) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL1706773 0.99 EGFR (0.97) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL10127856 0.94 EGFR (0.88) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL9945457 0.94 EGFR (0.91) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL9945476 0.93 EGFR (0.88) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL4176137 0.93 EGFR (1.00) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL10128056 0.93 EGFR (0.87) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL19705782 0.93 EGFR (0.87) EGFRNUAK1NUAK2JAK2BLK
SCHEMBL4164770 0.93 EGFR (1.00) EGFRNUAK1NUAK2JAK2BLK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351916-B2 Method for identification of anti-HIV human miRNA mimics and miRNA inhibitors and anti-HIV pharmaceutical compounds CSIR (ZA) 2019-07-16 US claimed
WO-2014179528-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS BROWN DENNIS M (US) 2014-11-06 WO claimed
EP-2425830-A1 Synergistic drug combination for the treatment of cancer Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 EP claimed
US-12194002-B2 Compositions and methods to improve the therapeutic benefit of suboptimally administered chemical compounds including substituted hexitols such as dibromodulcitol BROWN DENNIS (US) 2025-01-14 US disclosed
EP-3604312-B1 FOURTH-GENERATION EGFR TYROSINE KINASE INHIBITOR UNIV NAGASAKI (JP) 2023-11-29 EP disclosed
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
EP-3296905-B1 METHOD FOR IDENTIFYING NEW MARKERS ALACRIS THERANOSTICS GMBH (DE) 2023-11-08 EP disclosed
US-20230348434-A1 NOVEL PYRIMIDINES AS EGFR-INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. 2023-11-02 US disclosed
US-11673882-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-13 US disclosed
US-11584746-B2 Inhibitors of EGFR and methods of use thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-21 US disclosed
EP-4056677-A1 COMPOSITIONS AND METHODS FOR EPITHELIAL STEM CELL EXPANSION AND CULTURE The Brigham & Women's Hospital, Inc. (US) 2022-09-14 EP disclosed
US-20140038981-A1 NOVEL EGFR MODULATORS AND USES THEREOF ACEA Therapeutics, Inc. 2014-02-06 US disclosed
US-20140038981-A1 NOVEL EGFR MODULATORS AND USES THEREOF ACEA Therapeutics, Inc. 2014-02-06 US disclosed
WO-2013106792-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS. ACEA BIOSCIENCES INC. (US) 2013-07-18 WO disclosed
CN-103086982-A Pyrimidine derivative salts SHANGHAI YIZHI MEDICAL TECH CO 2013-05-08 CN disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
WO-2012028334-A2 MARKER FOR SUNITINIB RESISTANCE FORMATION MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-08 WO disclosed
EP-2426213-A1 Marker for sunitnib resistance formation Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 EP disclosed
EP-2425830-A1 Synergistic drug combination for the treatment of cancer Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-07 EP 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 (7 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 EGFR 1/4885NUAK1 2357/4885NUAK2 1994/4885
US-20230348434-A1 NOVEL PYRIMIDINES AS EGFR-INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB3 EGFR 1/4885NUAK1 1256/4885NUAK2 1332/4885
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 EGFR 2/4885NUAK1 976/4885NUAK2 648/4885
US-11584746-B2 Inhibitors of EGFR and methods of use thereof EGFR, ERBB2, ERBB3 EGFR 1/4885NUAK1 1792/4885NUAK2 2038/4885
US-11673882-B2 Pyrimidines as EGFR inhibitors and methods of treating disorders EGFR, ERBB2, ERBB3 EGFR 1/4885NUAK1 1595/4885NUAK2 1610/4885
US-12194002-B2 Compositions and methods to improve the therapeutic benefit of suboptimally administered chemical compounds including substituted hexitols such as dibromodulcitol HEXD, DDOST, PAICS EGFR 2685/4885NUAK1 3537/4885NUAK2 4014/4885
US-20140038981-A1 NOVEL EGFR MODULATORS AND USES THEREOF EGFR, ERBB2, ERBB3 EGFR 1/4885NUAK1 2192/4885NUAK2 1806/4885

“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.