SCHEMBL7122282

SCHEMBL7122282

O=C(O)/C(=C/CSCCCN1CCOCC1)c1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.47
ERBB2 P04626 3/20 0.43
ERBB4 Q15303 1/20 0.43
KDR P35968 3/20 0.41
AURKA O14965 1/20 0.41
ROCK2 O75116 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
MAPT P10636 1/20 0.41
SRC P12931 1/20 0.41
PDGFRA P16234 1/20 0.41
LTK P29376 1/20 0.41
TTK P33981 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
BTK Q06187 1/20 0.41
TYRO3 Q06418 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
SCHEMBL7122293 1.00 EGFR (0.47) EGFRERBB2ERBB4KDRAURKA
SCHEMBL7124564 0.89 EGFR (0.46) EGFRERBB2ERBB4KDRAURKA
SCHEMBL7124584 0.89 EGFR (0.46) EGFRERBB2ERBB4KDRAURKA
SCHEMBL7122189 0.84 EGFR (0.57) EGFRERBB2ERBB4
SCHEMBL7122190 0.84 EGFR (0.57) EGFRERBB2ERBB4
SCHEMBL7243237 0.84 AURKA (0.51) EGFRERBB2ERBB4KDRAURKA
SCHEMBL7243230 0.84 AURKA (0.51) EGFRERBB2ERBB4KDRAURKA
SCHEMBL7122286 0.83 EGFR (0.47) EGFRERBB2KDRAURKASRC
SCHEMBL7241608 0.82 EGFR (0.56) EGFRERBB2ERBB4KDRAURKA
SCHEMBL7241594 0.82 EGFR (0.56) EGFRERBB2ERBB4KDRAURKA

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 26/4885ERBB2 1/4885ERBB4 13/4885

“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.