SCHEMBL7126691

SCHEMBL7126691

O=C(C=CC(F)(F)CCCCN1CCOCC1)Nc1ccc2ncnc(N3CCc4cc(OCc5ccccc5)ccc43)c2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.42
ERBB2 P04626 2/20 0.42
NME2 P22392 2/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
EPHX2 P34913 2/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
TACR2 P21452 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7233932 0.85 EGFR (0.61) EGFRERBB2AURKAAURKBMAPT
SCHEMBL7118735 0.83 EGFR (0.51) EGFRERBB2AURKBEPHX2MAPT
SCHEMBL7234306 0.79 EGFR (0.58) EGFRERBB2AURKAAURKBMAPT
SCHEMBL7235000 0.77 EGFR (0.56) EGFRERBB2AURKAAURKBMAPT
SCHEMBL7239476 0.76 EGFR (0.57) EGFRERBB2AURKAAURKBMAPT
SCHEMBL7123170 0.76 EGFR (0.44) EGFRERBB2
SCHEMBL7123173 0.76 EGFR (0.44) EGFRERBB2
SCHEMBL7129900 0.75 EGFR (0.49) EGFRERBB2
SCHEMBL7130779 0.75 EGFR (0.39) EGFRERBB2AURKBEPHX2
SCHEMBL7124289 0.75 EGFR (0.52) EGFRERBB2AURKB

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 2 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-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 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-20030087881-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885ERBB2 1/4885NME2 408/4885

“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.