SCHEMBL7128979

SCHEMBL7128979

O=C(C=CC(=O)Nc1ccc2ncnc(N3CCc4ccc(Cl)cc43)c2c1)NCCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.53
ERBB2 P04626 4/20 0.53
KLK7 P49862 1/20 0.44
ERBB4 Q15303 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
PRMT3 O60678 1/20 0.41

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
SCHEMBL7128540 0.89 EGFR (0.50) EGFRERBB2ERBB4SMN1; SMN2MEN1
SCHEMBL7128717 0.89 EGFR (0.63) EGFRERBB2KLK7ERBB4SMN1; SMN2
SCHEMBL7118735 0.87 EGFR (0.51) EGFRERBB2ERBB4SMN1; SMN2MEN1
SCHEMBL7118097 0.87 EGFR (0.49) EGFRERBB2ERBB4SMN1; SMN2MEN1
SCHEMBL7118103 0.87 EGFR (0.49) EGFRERBB2ERBB4SMN1; SMN2MEN1
SCHEMBL7117602 0.86 EGFR (0.54) EGFRERBB2
SCHEMBL7117605 0.86 EGFR (0.54) EGFRERBB2
SCHEMBL7123201 0.84 EGFR (0.56) EGFRERBB2KLK7ERBB4
SCHEMBL7127832 0.82 EGFR (0.63) EGFRSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL7127836 0.82 EGFR (0.63) EGFRSMN1; SMN2MEN1MAPTKMT2A

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-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

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 1/4885KLK7 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.