SCHEMBL6355830

SCHEMBL6355830

CCC(NCCS(=O)(=O)C(C)C)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 11/20 0.55
MEN1 O00255 2/20 0.54
MAPK1 P28482 2/20 0.54
KMT2A Q03164 2/20 0.54
ERBB4 Q15303 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL6362107 0.95 EGFR (0.56) EGFRGAKERBB2MEN1MAPK1
SCHEMBL4006657 0.94 EGFR (0.62) EGFRGAKERBB2MEN1MAPK1
SCHEMBL6358428 0.93 EGFR (0.59) EGFRGAKERBB2MEN1MAPK1
SCHEMBL6359973 0.93 EGFR (0.47) EGFRGAKERBB2MEN1MAPK1
SCHEMBL4005007 0.92 EGFR (0.56) EGFRGAKERBB2MEN1MAPK1
SCHEMBL4007206 0.90 EGFR (0.54) EGFRGAKERBB2MEN1MAPK1
SCHEMBL6362151 0.90 EGFR (0.56) EGFRGAKERBB2MEN1MAPK1
SCHEMBL6358135 0.90 EGFR (0.68) EGFRERBB2MEN1MAPK1KMT2A
SCHEMBL6358137 0.89 EGFR (0.57) EGFRGAKERBB2MEN1MAPK1
SCHEMBL6358406 0.89 EGFR (0.60) EGFRGAKERBB2MEN1MAPK1

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.