SCHEMBL5864594

SCHEMBL5864594

COc1cc2ncnc(Nc3cccc(O)c3O)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 16/20 1.00
KIF5B P33176 11/20 1.00
KDR P35968 11/20 1.00
FLT1 P17948 2/20 0.66
EGFR P00533 2/20 0.66
FGFR1 P11362 1/20 0.65
CDK2 P24941 1/20 0.65
PIK3R1 P27986 1/20 0.65
EPHB2 P29323 1/20 0.65
TTBK1 Q5TCY1 1/20 0.65
NOD1 Q9Y239 1/20 0.63

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
SCHEMBL7076160 0.90 RET (1.00) RETKIF5BKDRFLT1EGFR
SCHEMBL16760418 0.89 RET (1.00) RETKIF5BKDRFLT1EGFR
SCHEMBL16785515 0.89 RET (1.00) RETKIF5BKDRFLT1EGFR
SCHEMBL16760410 0.88 RET (1.00) RETKIF5BKDRFLT1EGFR
SCHEMBL16760370 0.88 RET (1.00) RETKIF5BKDRFLT1EGFR
Hydrochloric Acid SCHEMBL16760376 0.88 RET (0.98) RETKIF5BKDRFLT1EGFR
SCHEMBL21225145 0.88 RET (0.78) RETKIF5BKDRFLT1EGFR
Hydrochloric Acid SCHEMBL16760380 0.87 RET (0.98) RETKIF5BKDRFLT1EGFR
SCHEMBL16760419 0.86 RET (1.00) RETKIF5BKDRFLT1EGFR
SCHEMBL16760445 0.85 RET (1.00) RETKIF5BKDRFLT1EGFR

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 5 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-20020111360-A1 Quinazoline formulations and therapeutic use thereof PARKER HUGHES INSTITUTE 2002-08-15 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 (2 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 RET 1370/4885KIF5B 3899/4885KDR 3004/4885
US-20020111360-A1 Quinazoline formulations and therapeutic use thereof CMA1, MAST3, MAST1 RET 2800/4885KIF5B 3284/4885KDR 2810/4885

“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.