SCHEMBL7124546

SCHEMBL7124546

C=CS(=O)(=O)Nc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.69
SRC P12931 3/20 0.53
LRRK2 Q5S007 1/20 0.52
FLT1 P17948 3/20 0.51
PIK3CA P42336 1/20 0.50
PIK3CG P48736 1/20 0.50
ERBB2 P04626 2/20 0.48
ERBB4 Q15303 1/20 0.48
KDR P35968 2/20 0.47
FYN P06241 1/20 0.47
RET P07949 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL7119459 0.89 EGFR (0.64) EGFRSRCLRRK2FLT1PIK3CA
SCHEMBL7127185 0.82 EGFR (1.00) EGFRSRCERBB2ERBB4FYN
SCHEMBL8093519 0.79 EGFR (1.00) EGFRFLT1PIK3CAPIK3CGERBB2
SCHEMBL7128726 0.78 EGFR (0.68) EGFRSRCLRRK2ERBB2ERBB4
SCHEMBL1733829 0.78 EGFR (0.76) EGFRFLT1PIK3CAPIK3CGERBB2
SCHEMBL2992732 0.78 EGFR (1.00) EGFRSRCLRRK2ERBB2ERBB4
SCHEMBL30115366 0.78 EGFR (1.00) EGFRSRCLRRK2ERBB2ERBB4
SCHEMBL7120633 0.77 EGFR (0.80) EGFRSRCFLT1PIK3CAPIK3CG
SCHEMBL3606262 0.77 EGFR (0.73) EGFRLRRK2FLT1PIK3CAPIK3CG
SCHEMBL7118145 0.76 EGFR (0.79) EGFRSRCERBB2ERBB4FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 US claimed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US claimed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
US-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 US disclosed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US disclosed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO 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-20030087881-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885SRC 8/4885LRRK2 425/4885

“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.