SCHEMBL7117635

SCHEMBL7117635

O=C(C#CCCCCN1CCOCC1)Oc1ccc2ncnc(N3CCc4ccc(Cl)cc43)c2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.40
ERBB2 P04626 3/20 0.40
ERBB4 Q15303 3/20 0.40
EPHX2 P34913 2/20 0.37
KDR P35968 2/20 0.36
BRAF P15056 1/20 0.36
CSF1R P07333 1/20 0.35
PDGFRB P09619 1/20 0.35
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
KLK7 P49862 1/20 0.35
AVPR1B P47901 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7124608 0.90 EGFR (0.44) EGFRERBB2ERBB4CSF1RKDM4E
SCHEMBL7125158 0.86 EGFR (0.42) EGFRERBB2ERBB4KDRBRAF
SCHEMBL7123201 0.86 EGFR (0.56) EGFRERBB2ERBB4KLK7
SCHEMBL7118153 0.83 EGFR (0.56) EGFRERBB2ERBB4KLK7
SCHEMBL7130779 0.82 EGFR (0.39) EGFRERBB2ERBB4EPHX2KDR
SCHEMBL7127864 0.81 EGFR (0.38) EGFREPHX2KDRBRAFCSF1R
SCHEMBL7126747 0.80 EGFR (0.39) EGFRERBB2ERBB4CSF1RFLT3
SCHEMBL7128565 0.77 EGFR (0.45) EGFRERBB2ERBB4KDRCSF1R
SCHEMBL7120343 0.76 EGFR (0.61) EGFRERBB2ERBB4
SCHEMBL7127860 0.76 EGFR (0.38) EGFRERBB2ERBB4KDRKLK7

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.