SCHEMBL7127932

SCHEMBL7127932

C=C(C(=O)O)c1ccc2ncnc(Nc3cc4cn(Cc5ccccc5)nc4c4ccccc34)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 5/20 0.44
ADORA2A P29274 1/20 0.39
MAPK14 Q16539 2/20 0.38
FYN P06241 1/20 0.38
SRC P12931 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 2/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 4/20 0.36
PARP1 P09874 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8093512 0.83 EGFR (0.53) ERBB2EGFR
SCHEMBL7127206 0.81 EGFR (0.50) ERBB2FYNSRCEGFR
SCHEMBL7120503 0.79 EGFR (0.50) ERBB2FYNSRCEGFR
SCHEMBL7128226 0.79 EGFR (0.51) ERBB2FYNSRCEGFR
SCHEMBL8089915 0.79 ERBB2 (0.53) ERBB2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL7119065 0.79 EGFR (0.54) ERBB2FYNSRCEGFR
SCHEMBL7119474 0.77 EGFR (0.51) ERBB2ADORA2AEGFR
SCHEMBL7126329 0.77 EGFR (0.45) ERBB2EGFR
SCHEMBL7129916 0.77 EGFR (0.39) FYNSRCALDH1A1EGFR
SCHEMBL7122220 0.77 EGFR (0.49) ERBB2EGFR

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 6 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
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO 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
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO 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 ERBB2 1/4885ADORA2A 2306/4885MAPK14 248/4885

“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.