SCHEMBL6358032

SCHEMBL6358032

CC(OCCS(=O)(=O)C(C)C)c1nc(-c2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Br)c4)ncnc3cn2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.48
ERBB2 P04626 16/20 0.48
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAK O14976 1/20 0.43
JAK3 P52333 1/20 0.41
ERBB4 Q15303 1/20 0.41
HDAC3 O15379 1/20 0.41
ABL1 P00519 1/20 0.41
INSR P06213 1/20 0.41
PDGFRB P09619 1/20 0.41
CDK2 P24941 1/20 0.41
PLK1 P53350 1/20 0.41

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
SCHEMBL4011117 0.94 EGFR (0.53) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL6357719 0.94 EGFR (0.47) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4006389 0.94 EGFR (0.48) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL6360473 0.92 EGFR (0.57) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4004574 0.92 EGFR (0.49) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL6359177 0.91 EGFR (0.58) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL6357714 0.90 EGFR (0.49) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4009483 0.90 EGFR (0.51) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL4004499 0.90 EGFR (0.46) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL6354462 0.89 EGFR (0.49) EGFRERBB2MEN1MAPK1KMT2A

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 71/4885ERBB2 2/4885MEN1 3034/4885

“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.