SCHEMBL7127833

SCHEMBL7127833

O=C(O)C=Cc1cc2c(Nc3ccc4[nH]ccc4c3)ncnc2cc1OCCCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.54
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
SRC P12931 7/20 0.52
KDR P35968 5/20 0.52
LCK P06239 2/20 0.52
FYN P06241 2/20 0.52
RET P07949 2/20 0.52
MET P08581 2/20 0.52
PDGFRA P16234 2/20 0.52
LTK P29376 2/20 0.52
MAP2K2 P36507 2/20 0.52
MAP2K1 Q02750 2/20 0.52
BTK Q06187 2/20 0.52
TYRO3 Q06418 2/20 0.52
AURKB Q96GD4 2/20 0.52
MAP4K5 Q9Y4K4 2/20 0.52
AURKA O14965 1/20 0.52
ROCK2 O75116 1/20 0.52

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
SCHEMBL7128163 0.89 EGFR (0.55) EGFRHDAC3HDAC1HDAC6SRC
SCHEMBL7127839 0.85 SRC (0.54) EGFRSRCKDRLCKFYN
SCHEMBL8525865 0.84 EGFR (0.57) EGFRSRCKDRLCKFYN
SCHEMBL7233111 0.84 EGFR (0.60) EGFRHDAC3HDAC1HDAC6SRC
SCHEMBL7244628 0.84 EGFR (0.60) EGFRHDAC3HDAC1HDAC6SRC
SCHEMBL7124677 0.84 EGFR (0.73) EGFRSRCKDRLCKFYN
SCHEMBL7121759 0.83 EGFR (0.53) EGFRHDAC3HDAC1HDAC6KDR
Hydrochloric Acid SCHEMBL4373085 0.83 SRC (0.72) EGFRSRCKDRLCKFYN
SCHEMBL7235478 0.82 EGFR (0.61) EGFRHDAC3HDAC1HDAC6SRC
SCHEMBL7117613 0.81 EGFR (0.58) EGFRSRCKDRLCKFYN

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 4 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
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 EGFR 26/4885HDAC3 968/4885HDAC1 789/4885

“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.