SCHEMBL7117656

SCHEMBL7117656

O=C(C=CC(F)(F)CCCCN1CCOCC1)Oc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.48
ERBB2 P04626 6/20 0.46
SRC P12931 3/20 0.43
KIT P10721 2/20 0.43
ERBB3 P21860 2/20 0.43
ERBB4 Q15303 2/20 0.43
KDR P35968 2/20 0.43
BMPR1B O00238 1/20 0.43
CIT O14578 1/20 0.43
MAP2K7 O14733 1/20 0.43
GAK O14976 1/20 0.43
EPHB6 O15197 1/20 0.43
MAP3K7 O43318 1/20 0.43
RIPK2 O43353 1/20 0.43
STK17B O94768 1/20 0.43
STK10 O94804 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
YES1 P07947 1/20 0.43

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 0.89 EGFR (0.59) EGFRERBB2SRCKITERBB3
SCHEMBL7127851 0.86 EGFR (0.47) EGFRERBB2SRCKITERBB3
SCHEMBL7241984 0.85 AURKA (0.49) EGFRERBB2SRCERBB4KDR
SCHEMBL7122286 0.85 EGFR (0.47) EGFRERBB2SRCKDRAURKB
SCHEMBL7126298 0.85 EGFR (0.58) EGFRERBB2SRCKITERBB3
SCHEMBL7129019 0.84 EGFR (0.52) EGFRERBB2SRCKITERBB3
SCHEMBL7239476 0.84 EGFR (0.57) EGFRERBB2SRCERBB4KDR
SCHEMBL7121729 0.83 EGFR (0.49) EGFRERBB2SRCERBB4
SCHEMBL7243134 0.81 EGFR (0.47) EGFRERBB2SRCKITERBB3
SCHEMBL7244546 0.79 EGFR (0.45) EGFRERBB2SRCKITERBB3

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 1/4885SRC 8/4885

“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.