SCHEMBL2574073

SCHEMBL2574073

CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1N

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.85
ERBB2 P04626 6/20 0.85
SRC P12931 3/20 0.63
STK4 Q13043 2/20 0.63
STK25 O00506 1/20 0.63
CIT O14578 1/20 0.63
CHEK1 O14757 1/20 0.63
GAK O14976 1/20 0.63
DAPK3 O43293 1/20 0.63
JAK2 O60674 1/20 0.63
STK17B O94768 1/20 0.63
STK10 O94804 1/20 0.63
MAP4K4 O95819 1/20 0.63
ABL1 P00519 1/20 0.63
LCK P06239 1/20 0.63
FYN P06241 1/20 0.63
FES P07332 1/20 0.63
CSF1R P07333 1/20 0.63
YES1 P07947 1/20 0.63
LYN P07948 1/20 0.63

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
Hydrochloric Acid SCHEMBL2052299 0.99 EGFR (0.84) EGFRERBB2SRCSTK4STK25
SCHEMBL6383515 0.92 EGFR (1.00) EGFRERBB2SRCSTK4STK25
SCHEMBL1896455 0.90 EGFR (0.85) EGFRERBB2SRCMAP2K1
SCHEMBL3600034 0.90 EGFR (0.72) EGFRERBB2SRC
SCHEMBL2023939 0.90 EGFR (0.69) EGFRERBB2SRC
SCHEMBL14135437 0.90 EGFR (0.68) EGFRERBB2SRCSTK4
Hydrochloric Acid SCHEMBL2840495 0.90 EGFR (0.83) EGFRERBB2SRCMAP2K1
Hydrochloric Acid SCHEMBL2843055 0.90 EGFR (0.83) EGFRERBB2SRCMAP2K1
SCHEMBL28547159 0.89 STK4 (0.70) EGFRERBB2SRCSTK4MAP2K1
Hydrochloric Acid SCHEMBL13505731 0.89 EGFR (0.68) EGFRERBB2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-09 US claimed
EP-2516403-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS Imperial Innovations Limited (GB) 2012-10-31 EP claimed
US-RE41084-E1 Antineoplastic combinations WYETH (US) 2010-01-19 US claimed
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer WYETH (US) 2009-12-31 US claimed
WO-2009151910-A2 COMBINATION PRODUCT OF RECEPTOR TYROSINE KINASE INHIBITOR AND FATTY ACID SYNTHASE INHIBITOR FOR TREATING CANCER WYETH (US) 2009-12-17 WO claimed
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2009-04-23 US claimed
US-7488754-B2 Method for the treatment of polycystic kidney disease WYETH (US) 2009-02-10 US claimed
US-20080161575-A1 Process for the synthesis of 6-amino-4-(3-chloro-4-fluorophenylamino)-7-ethoxyquinoline-3-carbonitrile WYETH (US) 2008-07-03 US claimed
US-RE40418-E1 Treatment of neoplasms with CCI-779/EKB-569 combination WYETH (US) 2008-07-01 US claimed
EP-1871371-A2 USE OF AN EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR (EGFR) IN GEFITINIB RESISTANT PATIENTS Wyeth (US) 2008-01-02 EP claimed
WO-2004032909-A2 STABILIZED PHARMACEUTICAL COMPOSITION CONTAINING BASIC EXCIPIENTS WYETH HOLDINGS CORPORATION (US) 2004-04-22 WO claimed
US-20040063672-A1 Method for the treatment of polycystic kidney disease WYETH HOLDINGS CORPORATION 2004-04-01 US claimed
JP-2003526686-A 2003-09-09 JP claimed
EP-1263503-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2002-12-11 EP claimed
WO-2002083112-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH HOLDINGS CORPORATION (US) 2002-10-24 WO claimed
US-6432979-B1 ADMINISTERING SYNERGISTIC MIXTURE OF NON-STEROIDAL ANTIINFLAMMATORY AGENT AND EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR COMPRISING 3-CYANOQUINOLINE DERIVATIVE AMERICAN CYANAMID COMPANY 2002-08-13 US claimed
EP-1202746-A1 NSAID AND EFGR KINASE INHIBITOR CONTAINING COMPOSITION FOR THE TREATMENT OR INHIBITION OF COLONIC POLYPS AND COLORECTAL CANCER American Cyanamid Company (US) 2002-05-08 EP claimed
US-6384051-B1 ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2002-05-07 US claimed
WO-2001068186-A2 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS AMERICAN CYANAMID COMPANY (US) 2001-09-20 WO claimed
WO-2001012227-A1 NSAID AND EFGR KINASE INHIBITOR CONTAINING COMPOSITION FOR THE TREATMENT OR INHIBITION OF COLONIC POLYPS AND COLORECTAL CANCER AMERICAN CYANAMID COMPANY (US) 2001-02-22 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 (5 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-20040063672-A1 Method for the treatment of polycystic kidney disease PKD1, PKD2, PCSK6 EGFR 11/4885ERBB2 122/4885SRC 1269/4885
US-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885SRC 51/4885
US-20080161575-A1 Process for the synthesis of 6-amino-4-(3-chloro-4-fluorophenylamino)-7-ethoxyquinoline-3-carbonitrile QPCT, CYP3A4, CPNE4 EGFR 2586/4885ERBB2 1303/4885SRC 2831/4885
US-20090325877-A1 Combination Product of Receptor Tyrosine Kinase Inhibitor and Fatty Acid Synthase Inhibitor for Treating Cancer FASN, FRS2, FGFR1 EGFR 20/4885ERBB2 8/4885SRC 9/4885
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB2 170/4885SRC 82/4885

“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.