SCHEMBL7127880

SCHEMBL7127880

O=C(O)C(=CCSCCCN1CCOCC1)c1ccc2ncnc(N3CCc4ccc(Cl)cc43)c2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.38
KDM4E B2RXH2 1/20 0.36
KDR P35968 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ERBB2 P04626 1/20 0.35
ERBB4 Q15303 1/20 0.35
MKNK1 Q9BUB5 3/20 0.35
MKNK2 Q9HBH9 3/20 0.35
KLK7 P49862 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL7127860 1.00 EGFR (0.38) EGFRKDM4EKDRSMN1; SMN2ERBB2
SCHEMBL7117618 0.92 MKNK1 (0.41) EGFRERBB2ERBB4MKNK1MKNK2
SCHEMBL7117606 0.92 MKNK1 (0.41) EGFRERBB2ERBB4MKNK1MKNK2
SCHEMBL7118103 0.82 EGFR (0.49) EGFRSMN1; SMN2ERBB2ERBB4
SCHEMBL7127864 0.82 EGFR (0.38) EGFRKDRKLK7
SCHEMBL7118097 0.82 EGFR (0.49) EGFRSMN1; SMN2ERBB2ERBB4
SCHEMBL7125390 0.79 EGFR (0.48) EGFRERBB2ERBB4
SCHEMBL7127871 0.78 EGFR (0.38) EGFRKDM4EKDRSMN1; SMN2ERBB2
SCHEMBL7128562 0.76 EGFR (0.44) EGFRKDRERBB2ERBB4MKNK1
SCHEMBL7123201 0.76 EGFR (0.56) EGFRERBB2ERBB4KLK7

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 26/4885KDM4E 1132/4885KDR 152/4885

“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.