SCHEMBL7113253

SCHEMBL7113253

COc1cc2ncnc(Nc3ccc(O)cc3Cl)c2cc1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 13/20 0.82
KDR P35968 13/20 0.82
KIF5B P33176 10/20 0.82
SRC P12931 3/20 0.78
EGFR P00533 4/20 0.71
RIPK2 O43353 2/20 0.71
GAK O14976 1/20 0.71
STK10 O94804 1/20 0.71
FLT3 P36888 1/20 0.71
JAK3 P52333 1/20 0.71
AAK1 Q2M2I8 1/20 0.71
Q6ZSR9 Q6ZSR9 1/20 0.71
SLK Q9H2G2 1/20 0.71
IRAK4 Q9NWZ3 1/20 0.71
RPS6KA6 Q9UK32 1/20 0.71
ALK Q9UM73 1/20 0.71
NOD1 Q9Y239 2/20 0.70
LCK P06239 1/20 0.70
FGFR1 P11362 2/20 0.67
FLT1 P17948 2/20 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
SCHEMBL18158610 0.90 RET (1.00) RETKDRKIF5BSRCEGFR
SCHEMBL5864787 0.88 RET (0.76) RETKDRKIF5BEGFRRIPK2
SCHEMBL18153625 0.86 RET (0.82) RETKDRKIF5BSRCEGFR
Hydrochloric Acid SCHEMBL18153626 0.85 KDR (0.80) RETKDRKIF5BSRCEGFR
SCHEMBL18158611 0.85 KDR (0.82) RETKDRKIF5BEGFRRIPK2
SCHEMBL18158909 0.84 RET (1.00) RETKDRKIF5BEGFRRIPK2
SCHEMBL7116324 0.84 SRC (0.75) RETKDRKIF5BSRCEGFR
Whi-P131 SCHEMBL29295 0.83 EGFR (1.00) RETKDRKIF5BEGFRRIPK2
Whi-P131 SCHEMBL29369589 0.83 EGFR (1.00) RETKDRKIF5BEGFRRIPK2
SCHEMBL7870603 0.83 KDR (1.00) RETKDRKIF5BEGFRRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 RET 2800/4885KDR 2810/4885KIF5B 3284/4885
US-20020137757-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT RET 1370/4885KDR 3004/4885KIF5B 3899/4885
US-20010016588-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT RET 1370/4885KDR 3004/4885KIF5B 3899/4885

“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.