SCHEMBL7124574

SCHEMBL7124574

Cc1cc2cc(Nc3ncnc4ccc(C(C=CC(=O)O)SCCCN5CCOCC5)cc34)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.46
ERBB2 P04626 3/20 0.41
SRC P12931 2/20 0.40
KDR P35968 2/20 0.40
ALDH1A1 P00352 2/20 0.40
AURKA O14965 1/20 0.40
ROCK2 O75116 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
RET P07949 1/20 0.40
MET P08581 1/20 0.40
MAPT P10636 1/20 0.40
PDGFRA P16234 1/20 0.40
LTK P29376 1/20 0.40
TTK P33981 1/20 0.40
MAP2K2 P36507 1/20 0.40
MAP2K1 Q02750 1/20 0.40
BTK Q06187 1/20 0.40
TYRO3 Q06418 1/20 0.40
TNK2 Q07912 1/20 0.40

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
SCHEMBL7122290 0.89 EGFR (0.47) EGFRERBB2
SCHEMBL7243233 0.83 EGFR (0.49) EGFRERBB2SRCKDRALDH1A1
SCHEMBL7241603 0.81 EGFR (0.56) EGFRERBB2SRCKDRALDH1A1
SCHEMBL7124564 0.80 EGFR (0.46) EGFRERBB2SRCKDRALDH1A1
SCHEMBL7124584 0.80 EGFR (0.46) EGFRERBB2SRCKDRALDH1A1
SCHEMBL7124567 0.79 ERBB2 (0.47) EGFRERBB2SRCKDRAURKA
SCHEMBL7236735 0.79 EGFR (0.48) EGFRERBB2SRCKDRLCK
SCHEMBL4387083 0.72 SRC (0.72) EGFRERBB2SRCKDRALDH1A1
SCHEMBL7127871 0.70 EGFR (0.38) EGFRERBB2KDRROCK2
SCHEMBL7122190 0.69 EGFR (0.57) EGFRERBB2

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 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.