SCHEMBL7129019

SCHEMBL7129019

O=C(C=CC(F)(F)CCCCN1CCOCC1)Nc1ccc2ncnc(Nc3ccc4cc[nH]c4c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.52
ERBB2 P04626 7/20 0.52
ERBB4 Q15303 3/20 0.47
KIT P10721 2/20 0.47
SRC P12931 2/20 0.47
ERBB3 P21860 2/20 0.47
BMPR1B O00238 1/20 0.47
CIT O14578 1/20 0.47
MAP2K7 O14733 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
MAP3K7 O43318 1/20 0.47
RIPK2 O43353 1/20 0.47
STK17B O94768 1/20 0.47
STK10 O94804 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
YES1 P07947 1/20 0.47
LYN P07948 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
SCHEMBL7125395 0.95 EGFR (0.59) EGFRERBB2ERBB4KITSRC
SCHEMBL7124156 0.87 EGFR (0.61) EGFRERBB2ERBB4
SCHEMBL7126298 0.87 EGFR (0.58) EGFRERBB2ERBB4KITSRC
SCHEMBL4187480 0.86 EGFR (0.72) EGFRERBB2
SCHEMBL4187414 0.86 EGFR (0.68) EGFRERBB2ERBB4KITSRC
SCHEMBL7117656 0.84 EGFR (0.48) EGFRERBB2ERBB4KITSRC
SCHEMBL7234306 0.84 EGFR (0.58) EGFRERBB2ERBB4SRCLCK
SCHEMBL4194478 0.83 EGFR (0.73) EGFRERBB2
SCHEMBL4185100 0.83 EGFR (0.68) EGFRERBB2ERBB4KITSRC
SCHEMBL7124289 0.82 EGFR (0.52) EGFRERBB2ERBB4KITSRC

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 1/4885ERBB4 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.