SCHEMBL7128726

SCHEMBL7128726

C=CS(=O)(=O)Nc1ccc2ncnc(Nc3ccc4cccnc4c3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.68
SRC P12931 8/20 0.56
LRRK2 Q5S007 1/20 0.56
FYN P06241 6/20 0.53
MET P08581 2/20 0.47
ERBB2 P04626 3/20 0.45
ERBB4 Q15303 2/20 0.45
BTK Q06187 2/20 0.45
BLK P51451 1/20 0.45
BMX P51813 1/20 0.45
JAK3 P52333 1/20 0.45
VCP P55072 1/20 0.44

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
SCHEMBL2992732 0.81 EGFR (1.00) EGFRSRCLRRK2FYNERBB2
SCHEMBL30115366 0.81 EGFR (1.00) EGFRSRCLRRK2FYNERBB2
SCHEMBL7124546 0.78 EGFR (0.69) EGFRSRCLRRK2FYNERBB2
SCHEMBL7238227 0.78 EGFR (0.68) EGFRSRCLRRK2FYNERBB2
SCHEMBL7242465 0.78 EGFR (0.68) EGFRSRCLRRK2FYNERBB2
SCHEMBL7128496 0.76 FYN (0.61) EGFRSRCFYNERBB2ERBB4
SCHEMBL7237665 0.75 EGFR (0.70) EGFRSRCLRRK2ERBB2ERBB4
SCHEMBL2991092 0.74 EGFR (0.84) EGFRSRCLRRK2FYNERBB2
SCHEMBL12070444 0.72 LRRK2 (1.00) EGFRSRCLRRK2ERBB2
SCHEMBL7238791 0.71 EGFR (0.58) EGFRSRCLRRK2FYNERBB2

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.