SCHEMBL5864762

SCHEMBL5864762

COc1cc2ncnc(Nc3cccc(OC(F)(F)F)c3)c2cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.78
RET P07949 5/20 0.78
SRC P12931 3/20 0.78
EGFR P00533 15/20 0.72
ABCG2 Q9UNQ0 2/20 0.72
LCK P06239 3/20 0.68
KDM4E B2RXH2 3/20 0.66
MAPT P10636 3/20 0.66
MAPK1 P28482 3/20 0.66
MAPK14 Q16539 3/20 0.66
EPHB2 P29323 2/20 0.66
ABL1 P00519 2/20 0.66
CYP1A2 P05177 2/20 0.66
CYP3A4 P08684 2/20 0.66
FBP1 P09467 2/20 0.66
CYP2D6 P10635 2/20 0.66
MKNK1 Q9BUB5 2/20 0.66
ERBB2 P04626 2/20 0.66
MAPK13 O15264 2/20 0.66
MAPK12 P53778 2/20 0.66

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
SCHEMBL5474772 0.88 KDR (1.00) KDRRETSRCEGFRABCG2
SCHEMBL7653871 0.87 EGFR (0.77) KDRRETSRCEGFRABCG2
Hydrochloric Acid SCHEMBL5483854 0.87 KDR (0.97) KDRRETSRCEGFRABCG2
SCHEMBL18158215 0.84 EGFR (0.82) KDRRETSRCEGFRABCG2
SCHEMBL2100607 0.84 EGFR (1.00) KDRRETSRCEGFRABCG2
SCHEMBL18158231 0.83 EGFR (0.83) KDRRETSRCEGFRABCG2
Hydrochloric Acid SCHEMBL8811926 0.83 EGFR (0.80) KDRRETSRCEGFRABCG2
SCHEMBL3238360 0.82 KDR (0.74) KDRRETSRCEGFRABCG2
SCHEMBL5482884 0.82 EGFR (1.00) KDRRETSRCEGFRABCG2
SCHEMBL23611048 0.82 TNF (0.66) KDRRETSRCEGFRABCG2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6258820-B1 ANTITUMOR AGENTS PARKER HUGHES INSTITUTE 2001-07-10 US 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-6638939-B2 Anticancer agents PARKER HUGHES INSTITUTE 2003-10-28 US disclosed
US-20020137757-A1 Quinazolines and therapeutic use thereof PARKER HUGHES INSTITUTE (US) 2002-09-26 US disclosed
US-20020111360-A1 Quinazoline formulations and therapeutic use thereof PARKER HUGHES INSTITUTE 2002-08-15 US disclosed
US-6358962-B2 ANTIALLERGENS; ANTITUMOR AGENTS; ANTICANCER AGENTS PARKER HUGHES INSTITUTE 2002-03-19 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 KDR 3004/4885RET 1370/4885SRC 2416/4885
US-20020111360-A1 Quinazoline formulations and therapeutic use thereof CMA1, MAST3, MAST1 KDR 2810/4885RET 2800/4885SRC 3595/4885
US-20020137757-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT KDR 3004/4885RET 1370/4885SRC 2416/4885
US-20010016588-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT KDR 3004/4885RET 1370/4885SRC 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.