SCHEMBL7128170

SCHEMBL7128170

C=C(C(=O)O)c1cc2c(Nc3ccc4[nH]cnc4c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.54
EGFR P00533 17/20 0.54
KDR P35968 8/20 0.54
LCK P06239 3/20 0.54
RET P07949 3/20 0.54
MET P08581 3/20 0.54
LTK P29376 3/20 0.54
MAP4K5 Q9Y4K4 3/20 0.54
FYN P06241 2/20 0.54
PDGFRA P16234 2/20 0.54
MAP2K2 P36507 2/20 0.54
MAP2K1 Q02750 2/20 0.54
BTK Q06187 2/20 0.54
TYRO3 Q06418 2/20 0.54
AURKB Q96GD4 2/20 0.54
MAPT P10636 2/20 0.54
TNK2 Q07912 2/20 0.54
AURKA O14965 1/20 0.54
ROCK2 O75116 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL7127839 0.89 SRC (0.54) SRCEGFRKDRLCKRET
SCHEMBL7233119 0.85 EGFR (0.62) SRCEGFRKDRLCKRET
SCHEMBL7128163 0.85 EGFR (0.55) SRCEGFRKDRLCKRET
SCHEMBL7244632 0.84 EGFR (0.61) SRCEGFRKDRLCKRET
SCHEMBL7235485 0.83 EGFR (0.62) SRCEGFRKDRLCKRET
SCHEMBL7241821 0.79 MAP2K1 (0.57) SRCEGFRKDRLCKRET
SCHEMBL3240237 0.78 EGFR (0.70) SRCEGFRKDRERBB2BRAF
SCHEMBL3246208 0.78 EGFR (0.58) SRCEGFRKDRLCKRET
SCHEMBL15445265 0.75 EGFR (0.80) SRCEGFRKDRLCKRET
SCHEMBL7127833 0.74 EGFR (0.54) SRCEGFRKDRLCKRET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US 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

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 SRC 8/4885EGFR 26/4885KDR 152/4885

“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.