SCHEMBL5864525

SCHEMBL5864525

COc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 1.00
EGFR P00533 14/20 1.00
RET P07949 3/20 1.00
KIF5B P33176 3/20 1.00
FLT1 P17948 12/20 0.80
FGFR1 P11362 10/20 0.80
FLT4 P35916 9/20 0.76
EPHB2 P29323 2/20 0.76
PDGFRB P09619 3/20 0.70
FGFR2 P21802 2/20 0.70
FGFR4 P22455 2/20 0.70
FGFR3 P22607 2/20 0.70
TEK Q02763 2/20 0.70
BMPR1B O00238 1/20 0.70
PLK4 O00444 1/20 0.70
CIT O14578 1/20 0.70
GAK O14976 1/20 0.70
EPHB6 O15197 1/20 0.70
RIPK2 O43353 1/20 0.70
ROCK2 O75116 1/20 0.70

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 SCHEMBL7864775 0.99 KDR (0.98) KDREGFRRETKIF5BFLT1
SCHEMBL19006858 0.93 KDR (0.87) KDREGFRRETKIF5BFLT1
SCHEMBL20355323 0.93 KDR (0.86) KDREGFRRETKIF5BFLT1
SCHEMBL15946890 0.92 KDR (0.84) KDREGFRRETKIF5BFLT1
SCHEMBL7864780 0.91 KDR (0.83) KDREGFRRETKIF5BFLT1
SCHEMBL5241456 0.91 KDR (0.83) KDREGFRRETKIF5BFLT1
SCHEMBL156289 0.91 KDR (0.83) KDREGFRRETKIF5BFLT1
SCHEMBL5237480 0.90 KDR (0.82) KDREGFRRETKIF5BFLT1
SCHEMBL14964748 0.90 KDR (0.82) KDREGFRRETKIF5BFLT1
SCHEMBL1468281 0.90 KDR (0.82) KDREGFRRETKIF5BFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0885198-B1 4-ANILINOQUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-12-19 EP disclosed
US-6291455-B1 PRODUCING AN ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT ZENECA LIMITED (GB) 2001-09-18 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
EP-0885198-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1998-12-23 EP disclosed
WO-1997032856-A1 4-ANILINOQUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-12 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 (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 3004/4885EGFR 1931/4885RET 1370/4885
US-20020111360-A1 Quinazoline formulations and therapeutic use thereof CMA1, MAST3, MAST1 KDR 2810/4885EGFR 3336/4885RET 2800/4885
US-20020137757-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT KDR 3004/4885EGFR 1931/4885RET 1370/4885
US-20010016588-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT KDR 3004/4885EGFR 1931/4885RET 1370/4885

“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.