SCHEMBL5477771

SCHEMBL5477771

COc1cc2ncnc(Nc3ccc(Cl)cc3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 1.00
FLT1 P17948 1/20 1.00
EGFR P00533 15/20 0.78
LCK P06239 6/20 0.78
RET P07949 3/20 0.76
GAK O14976 1/20 0.76
RIPK2 O43353 1/20 0.76
STK10 O94804 1/20 0.76
FLT3 P36888 1/20 0.76
JAK3 P52333 1/20 0.76
AAK1 Q2M2I8 1/20 0.76
Q6ZSR9 Q6ZSR9 1/20 0.76
SLK Q9H2G2 1/20 0.76
IRAK4 Q9NWZ3 1/20 0.76
RPS6KA6 Q9UK32 1/20 0.76
ALK Q9UM73 1/20 0.76
CLK1 P49759 2/20 0.75
FBP1 P09467 2/20 0.75
AURKA O14965 1/20 0.75
ERBB2 P04626 1/20 0.75

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 SCHEMBL5473772 0.99 KDR (0.97) KDRFLT1EGFRLCKRET
SCHEMBL8933814 0.94 KDR (0.88) KDRFLT1EGFRLCKRET
Hydrochloric Acid SCHEMBL8808201 0.93 KDR (0.86) KDRFLT1EGFRLCKRET
SCHEMBL31067633 0.91 KDR (0.82) KDRFLT1EGFRAURKAAURKB
SCHEMBL5242610 0.90 KDR (0.81) KDRFLT1EGFRLCKRET
SCHEMBL5239666 0.89 KDR (0.80) KDRFLT1EGFRLCKRET
SCHEMBL5236221 0.89 KDR (0.78) KDRFLT1EGFRLCKRET
SCHEMBL5467825 0.87 EGFR (1.00) KDRFLT1EGFRLCKRET
SCHEMBL3533221 0.87 EGFR (0.80) KDRFLT1EGFRLCKRET
SCHEMBL5473778 0.87 EGFR (0.80) KDRFLT1EGFRLCKRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513267-B2 4-anilinoquinazoline derivatives with adenosine-kinase inhibitor properties UNIVERSIDADE ESTADUAL DE CAMPINAS-UNICAMP (BR) 2013-08-20 US disclosed
EP-1737832-B1 4-ANILINOQUINAZOLINE DERIVATIVES WITH ADENOSINE-KINASE INHIBITORY PROPERTIES UNICAMP (BR) 2011-12-14 EP disclosed
US-20070060600-A1 4-Anilinequinazolines with adenosine-kiase inhibitor properties UNIVERSIDADE ESTADUAL DE CAMPINAS-UNICAMP (BR) 2007-03-15 US disclosed
US-6638939-B2 Anticancer agents PARKER HUGHES INSTITUTE 2003-10-28 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-1162974-A1 QUINAZOLINE FORMULATIONS 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

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

For each of this compound's patents that has machine-readable text (3 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-20020111360-A1 Quinazoline formulations and therapeutic use thereof CMA1, MAST3, MAST1 KDR 2810/4885FLT1 2293/4885EGFR 3336/4885
US-20070060600-A1 4-Anilinequinazolines with adenosine-kiase inhibitor properties ADK, AK1, ADORA3 KDR 1289/4885FLT1 1551/4885EGFR 3142/4885
US-20010016588-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT KDR 3004/4885FLT1 3496/4885EGFR 1931/4885

“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.