SCHEMBL5843856

SCHEMBL5843856

O=S1(=O)CCCOc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2OCCC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.74
ERBB2 P04626 6/20 0.55
AURKA O14965 1/20 0.53
INSR P06213 1/20 0.53
FBP1 P09467 1/20 0.53
PDGFRB P09619 1/20 0.53
FLT4 P35916 1/20 0.53
KDR P35968 1/20 0.53
CLK1 P49759 1/20 0.53
EPHB4 P54760 1/20 0.53
TEK Q02763 1/20 0.53
AURKB Q96GD4 1/20 0.53
GRM1 Q13255 1/20 0.52

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
SCHEMBL5845243 0.86 EGFR (0.77) EGFRERBB2AURKAINSRFBP1
SCHEMBL5843864 0.86 EGFR (0.78) EGFRPDGFRB
SCHEMBL5844206 0.86 EGFR (1.00) EGFRERBB2AURKAINSRFBP1
SCHEMBL15928222 0.80 EGFR (0.89) EGFRERBB2AURKAINSRFBP1
SCHEMBL5842950 0.80 EGFR (0.82) EGFRERBB2PDGFRB
SCHEMBL15928071 0.78 EGFR (1.00) EGFRERBB2AURKAINSRFBP1
SCHEMBL15928221 0.77 EGFR (0.75) EGFRERBB2
SCHEMBL28403915 0.76 EGFR (0.74) EGFRERBB2AURKAINSRFBP1
SCHEMBL16449752 0.73 EGFR (1.00) EGFRPDGFRB
SCHEMBL6794421 0.73 EGFR (0.63) EGFRERBB2AURKAINSRFBP1

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 4 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-20040048883-A1 Novel fused quinazoline derivatives useful as tyrosine kinase inhibitors BETA PHARMA, INC. 2004-03-11 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 82/4885ERBB2 2/4885AURKA 561/4885

“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.