SCHEMBL5864737

SCHEMBL5864737

COc1cc2ncnc(Nc3c(Br)cc(Br)cc3Br)c2cc1OC

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.78
KDR P35968 5/20 0.73
MKNK1 Q9BUB5 2/20 0.68
JAK3 P52333 2/20 0.68
ABCG2 Q9UNQ0 3/20 0.67
ERBB2 P04626 2/20 0.67
GAK O14976 2/20 0.67
SRC P12931 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MAPK13 O15264 1/20 0.67
ABL1 P00519 1/20 0.67
CYP1A2 P05177 1/20 0.67
CDK1 P06493 1/20 0.67
CYP3A4 P08684 1/20 0.67
FBP1 P09467 1/20 0.67
CYP2D6 P10635 1/20 0.67
MAPT P10636 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67

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
SCHEMBL5864645 0.90 EGFR (0.67) EGFRKDRMKNK1JAK3ABCG2
SCHEMBL5864522 0.88 EGFR (0.74) EGFRKDRMKNK1JAK3ABCG2
SCHEMBL7962820 0.86 KDR (0.73) EGFRKDRMKNK1JAK3ABCG2
Hydrochloric Acid SCHEMBL7215101 0.85 KDR (0.72) EGFRKDRMKNK1ABCG2ERBB2
SCHEMBL5467825 0.84 EGFR (1.00) EGFRKDRMKNK1JAK3ABCG2
SCHEMBL5864534 0.84 KDR (0.77) EGFRKDRMKNK1JAK3ABCG2
Hydrochloric Acid SCHEMBL5479908 0.83 EGFR (0.97) EGFRKDRMKNK1JAK3ABCG2
SCHEMBL5864733 0.82 JAK3 (0.79) EGFRKDRMKNK1JAK3ABCG2
SCHEMBL5864702 0.81 EGFR (0.77) EGFRKDRMKNK1JAK3ABCG2
SCHEMBL5570070 0.81 EGFR (0.85) EGFRKDRMKNK1JAK3ABCG2

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-1163228-A1 QUINAZOLINES AND THERAPEUTIC USE THEREOF Parker Hughes Institute (US) 2001-12-19 EP claimed
EP-1162974-A1 QUINAZOLINE FORMULATIONS 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-2000056720-A1 QUINAZOLINES AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 WO claimed
WO-2000056338-A1 QUINAZOLINE FORMULATIONS 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-2000056720-A1 QUINAZOLINES AND THERAPEUTIC USE THEREOF PARKER HUGHES INSTITUTE (US) 2000-09-28 WO disclosed
WO-2000056338-A1 QUINAZOLINE FORMULATIONS 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 1931/4885KDR 3004/4885MKNK1 1914/4885
US-20020111360-A1 Quinazoline formulations and therapeutic use thereof CMA1, MAST3, MAST1 EGFR 3336/4885KDR 2810/4885MKNK1 1328/4885
US-20020137757-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT EGFR 1931/4885KDR 3004/4885MKNK1 1914/4885
US-20040039002-A1 6,7-Dimethoxyquinazolines and therapeutic use thereof HRH2, HNMT, HRH4 EGFR 1601/4885KDR 2273/4885MKNK1 2106/4885
US-20010016588-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT EGFR 1931/4885KDR 3004/4885MKNK1 1914/4885

“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.