SCHEMBL6355834

SCHEMBL6355834

CCC(NC(CC(C)C)=S(=O)=O)c1nc(-c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3cc2OC)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.57
GAK O14976 1/20 0.57
ERBB2 P04626 7/20 0.55
ERBB4 Q15303 1/20 0.55
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
MEN1 O00255 2/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL6362110 0.95 EGFR (0.52) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL6358431 0.94 EGFR (0.59) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL6359976 0.93 EGFR (0.47) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL4007213 0.90 EGFR (0.54) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL6362152 0.90 EGFR (0.51) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL6358139 0.90 EGFR (0.62) EGFRERBB2ERBB4HDAC3HDAC4
SCHEMBL6358140 0.89 EGFR (0.57) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL6358413 0.89 EGFR (0.60) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL6356400 0.88 EGFR (0.59) EGFRGAKERBB2ERBB4HDAC3
SCHEMBL6357301 0.88 EGFR (0.54) EGFRGAKERBB2ERBB4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143401-A1 Anticancer agents; (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)ethyl)-thiazol-4-yl)-quinazolin-4-yl)-amine COCKERILL GEORGE S (GB) 2005-06-30 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-20050143401-A1 Anticancer agents; (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-methanesulphonyl-ethylamino)ethyl)-thiazol-4-yl)-quinazolin-4-yl)-amine ABL1, ERBB2, ERBB4 EGFR 71/4885GAK 73/4885ERBB2 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.