SCHEMBL2201506

SCHEMBL2201506

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1N

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.70
ERBB2 P04626 14/20 0.70
ERBB4 Q15303 2/20 0.61
STK4 Q13043 1/20 0.59
STK3 Q13188 1/20 0.59

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 SCHEMBL4962186 0.99 EGFR (0.69) EGFRERBB2ERBB4STK4STK3
SCHEMBL2951299 0.93 EGFR (0.63) EGFRERBB2ERBB4
SCHEMBL3593176 0.92 EGFR (0.60) EGFRERBB2ERBB4
SCHEMBL2204648 0.91 EGFR (0.72) EGFRERBB2STK4STK3
Hydrochloric Acid SCHEMBL4964202 0.90 EGFR (0.71) EGFRERBB2STK4STK3
SCHEMBL23408974 0.88 STK4 (0.68) EGFRERBB2STK4STK3
SCHEMBL20395110 0.87 EGFR (0.68) EGFRERBB2ERBB4STK4STK3
SCHEMBL4965102 0.87 EGFR (0.81) EGFRERBB2ERBB4STK4STK3
SCHEMBL3605026 0.86 EGFR (0.70) EGFRERBB2ERBB4
SCHEMBL31661478 0.86 STK3 (0.68) EGFRERBB2ERBB4STK4STK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-112759583-B Quinoline derivative containing furyl and preparation method and application thereof 河南省医药科学研究院 2022-10-11 CN disclosed
CN-112694439-B Phenyl acrylamide quinoline derivative and preparation method and application thereof 河南省医药科学研究院 2022-08-30 CN disclosed
CN-112625025-B Pyridyl substituted quinoline derivative and its prepn and use 河南省医药科学研究院 2022-03-29 CN disclosed
CN-112759583-A Quinoline derivative containing furyl and preparation method and application thereof 河南省医药科学研究院 2021-05-07 CN disclosed
CN-112694439-A Phenyl acrylamide quinoline derivative and preparation method and application thereof 河南省医药科学研究院 2021-04-23 CN disclosed
CN-112625025-A Pyridyl substituted quinoline derivative and its prepn and use 河南省医药科学研究院 2021-04-09 CN disclosed
US-10246444-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-04-02 US disclosed
US-10246444-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions SABILA BIOSCIENCES LLC (US) 2019-04-02 US disclosed
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS SABILA BIOSCIENCES LLC (US) 2018-07-26 US disclosed
EP-1883621-A2 METHODS OF PREPARING 3-CYANO-QUINOLINES AND INTERMEDIATES MADE THEREBY Wyeth (US) 2008-02-06 EP disclosed
EP-1883631-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF Wyeth (US) 2008-02-06 EP disclosed
WO-2006127207-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF WYETH (US) 2006-11-30 WO disclosed
US-20060270669-A1 Method of preparing 3-cyano-quinolines and intermediates made thereby WYETH 2006-11-30 US disclosed
WO-2006127205-A2 METHODS OF PREPARING 3-CYANO-QUINOLINES AND INTERMEDIATES MADE THEREBY WYETH (US) 2006-11-30 WO disclosed
US-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof WYETH (US) 2006-11-30 US disclosed
EP-1670473-A1 SUBSTITUTED QUINOLINES AS PROTEIN TYROSINE KINASE ENZYME INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2006-06-21 EP disclosed
WO-2005034955-A1 SUBSTITUTED QUINOLINES AS PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH (US) 2005-04-21 WO disclosed
WO-2005028443-A2 PROTEIN TYROSINE KINASE ENZYME INHIBITORS WYETH A CORPORATION OF THE STATE OF DELAWARE, USA (US) 2005-03-31 WO disclosed
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors WYETH (US) 2005-03-17 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 (6 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-10246444-B2 1,2-dithiolane and dithiol compounds useful in treating mutant EGFR-mediated diseases and conditions EGFR, BRCA1, PTPRJ EGFR 1/4885ERBB2 5/4885ERBB4 9/4885
US-20060270669-A1 Method of preparing 3-cyano-quinolines and intermediates made thereby CNP, PPP4C, PTMS EGFR 3894/4885ERBB2 2020/4885ERBB4 973/4885
US-20050059678-A1 Protein tyrosine kinase enzyme inhibitors ABL1, ERBB2, RET EGFR 6/4885ERBB2 2/4885ERBB4 8/4885
US-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof HCCS, CYP3A7, QPCT EGFR 4068/4885ERBB2 3200/4885ERBB4 3148/4885
US-20180208584-A1 1,2-DITHIOLANE AND DITHIOL COMPOUNDS USEFUL IN TREATING MUTANT EGFR-MEDIATED DISEASES AND CONDITIONS EGFR, BRCA1, PTPRJ EGFR 1/4885ERBB2 5/4885ERBB4 9/4885
US-20090105247-A1 QUINAZOLINE AND QUINOLINE DERIVATIVES AS IRREVERSIBLE PROTEIN TYROSINE KINASE INHIBITORS ABL1, MAP3K7, MAP3K5 EGFR 621/4885ERBB2 170/4885ERBB4 407/4885

“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.