SCHEMBL5864645

SCHEMBL5864645

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.67
KDR P35968 6/20 0.67
JAK3 P52333 2/20 0.67
MKNK1 Q9BUB5 2/20 0.67
RET P07949 2/20 0.65
KIF5B P33176 1/20 0.65
ABCG2 Q9UNQ0 3/20 0.62
ABCB1 P08183 1/20 0.62
GAK O14976 2/20 0.62
SRC P12931 2/20 0.62
ERBB2 P04626 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPK13 O15264 1/20 0.62
ABL1 P00519 1/20 0.62
CYP1A2 P05177 1/20 0.62
CDK1 P06493 1/20 0.62
CYP3A4 P08684 1/20 0.62
FBP1 P09467 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.62

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
SCHEMBL5864737 0.90 EGFR (0.78) EGFRKDRJAK3MKNK1RET
SCHEMBL5864522 0.86 EGFR (0.74) EGFRKDRJAK3MKNK1RET
SCHEMBL5864733 0.84 JAK3 (0.79) EGFRKDRJAK3MKNK1RET
SCHEMBL5467825 0.81 EGFR (1.00) EGFRKDRJAK3MKNK1RET
SCHEMBL5473778 0.81 EGFR (0.80) EGFRKDRJAK3RETKIF5B
SCHEMBL5865262 0.81 EGFR (0.81) EGFRKDRJAK3MKNK1RET
SCHEMBL16760498 0.81 RET (0.65) EGFRKDRJAK3RETKIF5B
SCHEMBL30925305 0.80 JAK3 (1.00) EGFRKDRJAK3MKNK1RET
SCHEMBL5570070 0.80 EGFR (0.85) EGFRKDRJAK3MKNK1RET
SCHEMBL5864655 0.80 KDR (0.63) EGFRKDRJAK3MKNK1RET

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 7 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-6358962-B2 ANTIALLERGENS; ANTITUMOR AGENTS; ANTICANCER AGENTS PARKER HUGHES INSTITUTE 2002-03-19 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

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-20050075353-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT EGFR 1931/4885KDR 3004/4885JAK3 321/4885
US-20020111360-A1 Quinazoline formulations and therapeutic use thereof CMA1, MAST3, MAST1 EGFR 3336/4885KDR 2810/4885JAK3 339/4885
US-20010016588-A1 Quinazolines and therapeutic use thereof HRH2, HRH4, HNMT EGFR 1931/4885KDR 3004/4885JAK3 321/4885

“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.