SCHEMBL5845243

SCHEMBL5845243

Fc1ccc(Nc2ncnc3cc4c(cc23)OCCCSCCCO4)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.77
FBP1 P09467 2/20 0.55
ERBB2 P04626 2/20 0.55
AURKA O14965 1/20 0.55
INSR P06213 1/20 0.55
PDGFRB P09619 1/20 0.55
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.55
CLK1 P49759 1/20 0.55
EPHB4 P54760 1/20 0.55
TEK Q02763 1/20 0.55
AURKB Q96GD4 1/20 0.55
GRM1 Q13255 1/20 0.53
ABL1 P00519 1/20 0.53
FGFR1 P11362 1/20 0.53
SRC P12931 1/20 0.53

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
SCHEMBL5844206 0.87 EGFR (1.00) EGFRFBP1ERBB2AURKAINSR
SCHEMBL5843856 0.86 EGFR (0.74) EGFRFBP1ERBB2AURKAINSR
SCHEMBL5844971 0.85 EGFR (0.81) EGFRPDGFRBABL1FGFR1SRC
SCHEMBL15928222 0.82 EGFR (0.89) EGFRFBP1ERBB2AURKAINSR
SCHEMBL15928071 0.80 EGFR (1.00) EGFRFBP1ERBB2AURKAINSR
SCHEMBL5843652 0.79 EGFR (1.00) EGFRERBB2PDGFRBABL1FGFR1
SCHEMBL28403915 0.77 EGFR (0.74) EGFRFBP1ERBB2AURKAINSR
SCHEMBL15928221 0.77 EGFR (0.75) EGFRERBB2
SCHEMBL16449752 0.74 EGFR (1.00) EGFRPDGFRBABL1FGFR1SRC
SCHEMBL6794421 0.74 EGFR (0.63) EGFRFBP1ERBB2AURKAINSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078409-B2 Fused quinazoline derivatives useful as tyrosine kinase inhibitors BETA PHARMA, INC. (US) 2006-07-18 US 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

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 82/4885FBP1 2723/4885ERBB2 2/4885

“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.