SCHEMBL7127934

SCHEMBL7127934

O=C(C#CCN1CCOCC1)Nc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.70
ERBB2 P04626 13/20 0.70
ERBB4 Q15303 4/20 0.67
BTK Q06187 1/20 0.54
AURKB Q96GD4 2/20 0.51
CHEK2 O96017 1/20 0.51
ROS1 P08922 1/20 0.51
FLT3 P36888 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
AURKA O14965 1/20 0.51

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
SCHEMBL7245617 0.91 EGFR (0.73) EGFRERBB2ERBB4BTKAURKB
SCHEMBL7244172 0.90 EGFR (0.61) EGFRERBB2ERBB4BTKAURKB
SCHEMBL7236868 0.90 ERBB2 (0.69) EGFRERBB2ERBB4AURKBAURKA
SCHEMBL7241925 0.89 EGFR (0.56) EGFRERBB2ERBB4AURKBCHEK2
SCHEMBL7239406 0.83 EGFR (0.72) EGFRERBB2ERBB4AURKBCHEK2
SCHEMBL7127194 0.83 EGFR (0.68) EGFRERBB2ERBB4BTK
SCHEMBL30115350 0.82 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL7237483 0.81 EGFR (0.63) EGFRERBB2ERBB4BTKAURKB
SCHEMBL7241852 0.81 EGFR (0.62) EGFRERBB2AURKBAURKA
SCHEMBL7239509 0.81 EGFR (0.72) EGFRERBB2ERBB4BTKAURKB

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 5 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-6127374-A AN ENZYME INHIBITOR FOR TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS AND PSORIASIS WARNER-LAMBERT COMPANY (US) 2000-10-03 US claimed
US-6562818-B1 For treating cancer, atherosclerosis, restenosis, endometriosis, and psoriasis WARNER-LAMBERT COMPANY 2003-05-13 US disclosed
US-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 US disclosed
US-6127374-A AN ENZYME INHIBITOR FOR TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS AND PSORIASIS WARNER-LAMBERT COMPANY (US) 2000-10-03 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.