SCHEMBL5842980

SCHEMBL5842980

Brc1cccc(Nc2ncnc3cc4c(cc23)OCCCO4)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 1.00
ABL1 P00519 4/20 0.73
FGFR1 P11362 4/20 0.73
SRC P12931 4/20 0.73
ERBB2 P04626 1/20 0.67
PDGFRB P09619 2/20 0.66

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
SCHEMBL24329477 0.95 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL5843652 0.92 EGFR (1.00) EGFRABL1FGFR1SRCERBB2
SCHEMBL5843277 0.92 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL5842785 0.92 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL5842496 0.92 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL5842950 0.90 EGFR (0.82) EGFRABL1FGFR1SRCERBB2
Hydrochloric Acid SCHEMBL12611063 0.84 EGFR (1.00) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL12648302 0.81 EGFR (0.72) EGFRABL1SRCERBB2
SCHEMBL6797080 0.81 EGFR (0.81) EGFRABL1FGFR1SRCPDGFRB
SCHEMBL2102234 0.81 EGFR (0.74) EGFRABL1FGFR1SRCPDGFRB

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-20040048883-A1 Novel fused quinazoline derivatives useful as tyrosine kinase inhibitors BETA PHARMA, INC. 2004-03-11 US claimed
WO-2003082830-A1 NOVEL FUSED QUINAZOLINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS BETA PHARMA, INC. (US) 2003-10-09 WO claimed
US-7078409-B2 Fused quinazoline derivatives useful as tyrosine kinase inhibitors BETA PHARMA, INC. (US) 2006-07-18 US disclosed
US-20040048883-A1 Novel fused quinazoline derivatives useful as tyrosine kinase inhibitors BETA PHARMA, INC. 2004-03-11 US disclosed
WO-2003082830-A1 NOVEL FUSED QUINAZOLINE DERIVATIVES USEFUL AS TYROSINE KINASE INHIBITORS BETA PHARMA, INC. (US) 2003-10-09 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 (1 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-20040048883-A1 Novel fused quinazoline derivatives useful as tyrosine kinase inhibitors ABL1, ERBB2, CNKSR1 EGFR 82/4885ABL1 1/4885FGFR1 88/4885

“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.