SCHEMBL7124608

SCHEMBL7124608

O=C(C#CCN1CCOCC1)Oc1ccc2ncnc(N3CCc4ccc(Cl)cc43)c2c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.44
ERBB2 P04626 4/20 0.44
ERBB4 Q15303 3/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BTK Q06187 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
HTT P42858 1/20 0.35
AXL P30530 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL7117635 0.90 EGFR (0.40) EGFRERBB2ERBB4KDM4EALDH1A1
SCHEMBL7126747 0.89 EGFR (0.39) EGFRERBB2ERBB4KDM4EALDH1A1
SCHEMBL7120343 0.85 EGFR (0.61) EGFRERBB2ERBB4BTKAXL
SCHEMBL7125400 0.81 EGFR (0.61) EGFRERBB2ERBB4
SCHEMBL7127864 0.78 EGFR (0.38) EGFRCSF1R
SCHEMBL7130779 0.78 EGFR (0.39) EGFRERBB2ERBB4BTKMKNK1
SCHEMBL7125158 0.77 EGFR (0.42) EGFRERBB2ERBB4BTKMKNK1
SCHEMBL7123201 0.76 EGFR (0.56) EGFRERBB2ERBB4BTK
SCHEMBL8651006 0.74 EGFR (0.54) EGFRKDM4EALDH1A1HTTCSF1R
SCHEMBL8644991 0.74 PRKDC (0.47) EGFRALDH1A1HTTAXLCSF1R

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 1/4885ERBB4 13/4885

“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.