SCHEMBL5864660

SCHEMBL5864660

COc1cc2ncnc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2cc1OC

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.86
ABCG2 Q9UNQ0 2/20 0.78
SRC P12931 2/20 0.67
GAK O14976 2/20 0.67
LCK P06239 4/20 0.66
PDGFRB P09619 1/20 0.66
PDGFRA P16234 1/20 0.66
KDR P35968 4/20 0.64
RET P07949 2/20 0.64
CLK1 P49759 1/20 0.64
KIF5B P33176 1/20 0.62

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
SCHEMBL6939454 0.93 EGFR (1.00) EGFRABCG2SRCGAKLCK
SCHEMBL5864703 0.88 EGFR (0.84) EGFRABCG2GAKLCKKDR
SCHEMBL2100607 0.88 EGFR (1.00) EGFRABCG2SRCGAKLCK
SCHEMBL12485595 0.82 KDR (0.83) EGFRABCG2SRCGAKLCK
SCHEMBL6181483 0.81 EGFR (1.00) EGFRABCG2SRCGAKLCK
SCHEMBL31067608 0.81 KDR (0.85) EGFRKDR
Hydrochloric Acid SCHEMBL6179766 0.80 EGFR (1.00) EGFRABCG2SRCGAKLCK
SCHEMBL28643875 0.80 EGFR (0.82) EGFRABCG2SRCLCKKDR
SCHEMBL5864588 0.79 EGFR (0.67) EGFRABCG2SRCGAKLCK
SCHEMBL5864555 0.79 KDR (0.73) EGFRSRCGAKLCKPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039002-A1 6,7-Dimethoxyquinazolines and therapeutic use thereof PARKER HUGHES INSTITUTE 2004-02-26 US claimed
JP-2002540103-A 2002-11-26 JP claimed
US-20020137757-A1 Quinazolines and therapeutic use thereof PARKER HUGHES INSTITUTE (US) 2002-09-26 US claimed
US-20020111360-A1 Quinazoline formulations and therapeutic use thereof PARKER HUGHES INSTITUTE 2002-08-15 US claimed
US-6358962-B2 ANTIALLERGENS; ANTITUMOR AGENTS; ANTICANCER AGENTS PARKER HUGHES INSTITUTE 2002-03-19 US claimed
EP-1162974-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF Parker Hughes Institute (US) 2001-12-19 EP claimed
EP-1163228-A1 QUINAZOLINES AND THERAPEUTIC USE THEREOF Parker Hughes Institute (US) 2001-12-19 EP claimed
US-20010016588-A1 Quinazolines and therapeutic use thereof HUGHES INSTITUTE (US) 2001-08-23 US claimed
US-6258820-B1 ANTITUMOR AGENTS PARKER HUGHES INSTITUTE 2001-07-10 US claimed
WO-2000056338-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 WO claimed
WO-2000056720-A1 QUINAZOLINES AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 WO claimed
US-7038049-B2 Haloanilino quinazolines and therapeutic use thereof PARKER HUGHES INSTITUTE (US) 2006-05-02 US disclosed
US-20050075353-A1 Quinazolines and therapeutic use thereof PARKER HUGHES INSTITUTE (US) 2005-04-07 US disclosed
US-20040039002-A1 6,7-Dimethoxyquinazolines and therapeutic use thereof PARKER HUGHES INSTITUTE 2004-02-26 US disclosed
US-6638939-B2 Anticancer agents PARKER HUGHES INSTITUTE 2003-10-28 US disclosed
EP-1163228-A1 QUINAZOLINES AND THERAPEUTIC USE THEREOF Parker Hughes Institute (US) 2001-12-19 EP disclosed
US-20010016588-A1 Quinazolines and therapeutic use thereof HUGHES INSTITUTE (US) 2001-08-23 US disclosed
US-6258820-B1 ANTITUMOR AGENTS PARKER HUGHES INSTITUTE 2001-07-10 US disclosed
WO-2000056338-A1 QUINAZOLINE FORMULATIONS AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 WO disclosed
WO-2000056720-A1 QUINAZOLINES AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 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 (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-20050075353-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT EGFR 1931/4885ABCG2 351/4885SRC 2416/4885
US-20020111360-A1 Quinazoline formulations and therapeutic use thereof CMA1, MAST3, MAST1 EGFR 3336/4885ABCG2 19/4885SRC 3595/4885
US-20020137757-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT EGFR 1931/4885ABCG2 351/4885SRC 2416/4885
US-20040039002-A1 6,7-Dimethoxyquinazolines and therapeutic use thereof HRH2, HNMT, HRH4 EGFR 1601/4885ABCG2 765/4885SRC 1852/4885
US-20010016588-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT EGFR 1931/4885ABCG2 351/4885SRC 2416/4885

“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.