SCHEMBL7127871

SCHEMBL7127871

O=C(O)C=CC(SCCCN1CCOCC1)c1ccc2ncnc(N3CCc4ccc(Cl)cc43)c2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
KLK7 P49862 1/20 0.34
ROCK2 O75116 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
KCNH2 Q12809 1/20 0.34
AKT3 Q9Y243 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ERBB2 P04626 1/20 0.33
KDR P35968 1/20 0.33
KMT2A Q03164 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 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
SCHEMBL7117614 0.92 EGFR (0.38) EGFRMKNK1MKNK2
SCHEMBL7128562 0.79 EGFR (0.44) EGFRROCK2ERBB2KDRMKNK1
SCHEMBL7127860 0.78 EGFR (0.38) EGFRSMN1; SMN2KLK7KDM4EERBB2
SCHEMBL7127880 0.78 EGFR (0.38) EGFRSMN1; SMN2KLK7KDM4EERBB2
SCHEMBL7118097 0.78 EGFR (0.49) EGFRSMN1; SMN2ERBB2KMT2A
SCHEMBL7127864 0.78 EGFR (0.38) EGFRKLK7KDR
SCHEMBL7118103 0.78 EGFR (0.49) EGFRSMN1; SMN2ERBB2KMT2A
SCHEMBL7128979 0.76 EGFR (0.53) EGFRSMN1; SMN2KLK7ERBB2KMT2A
SCHEMBL7125390 0.74 EGFR (0.48) EGFRERBB2
SCHEMBL7128540 0.74 EGFR (0.50) EGFRSMN1; SMN2ERBB2KDRKMT2A

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 26/4885SMN1; SMN2 4863/4885KLK7 613/4885

“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.