SCHEMBL7125380

SCHEMBL7125380

O=C(C=CC(=O)OCCCN1CCOCC1)Nc1ccc2ncnc(Nc3ccc4c(c3)ncn4Cc3ccccc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.51
EGFR P00533 17/20 0.51
AURKB Q96GD4 3/20 0.48
AURKA O14965 2/20 0.48
SRC P12931 3/20 0.47
LCK P06239 2/20 0.47
FYN P06241 2/20 0.47
RET P07949 2/20 0.47
MET P08581 2/20 0.47
PDGFRA P16234 2/20 0.47
LTK P29376 2/20 0.47
KDR P35968 2/20 0.47
MAP2K2 P36507 2/20 0.47
MAP2K1 Q02750 2/20 0.47
BTK Q06187 2/20 0.47
TYRO3 Q06418 2/20 0.47
MAP4K5 Q9Y4K4 2/20 0.47
ROCK2 O75116 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL7243665 0.85 EGFR (0.60) ERBB2EGFRAURKBAURKASRC
SCHEMBL7238652 0.84 EGFR (0.57) ERBB2EGFRAURKBAURKASRC
SCHEMBL7118823 0.82 AURKB (0.47) ERBB2EGFRAURKBAURKASRC
SCHEMBL7117613 0.80 EGFR (0.58) ERBB2EGFRAURKBSRCLCK
SCHEMBL7130814 0.80 EGFR (0.65) ERBB2EGFRSRCFYNERBB4
SCHEMBL7241555 0.80 EGFR (0.53) ERBB2EGFRAURKBSRCLCK
SCHEMBL7243709 0.80 EGFR (0.57) ERBB2EGFRAURKBSRCLCK
SCHEMBL7118715 0.78 EGFR (0.62) ERBB2EGFRAURKBAURKAERBB4
SCHEMBL7242380 0.78 EGFR (0.59) ERBB2EGFRAURKBAURKASRC
SCHEMBL7117574 0.77 SRC (0.61) ERBB2EGFRAURKBSRCLCK

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 ERBB2 1/4885EGFR 26/4885AURKB 60/4885

“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.