SCHEMBL7122314

SCHEMBL7122314

O=C(C#CCN1CCOCC1)Oc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.54
ERBB2 P04626 10/20 0.54
ERBB4 Q15303 3/20 0.53
PIK3CA P42336 1/20 0.43
PIK3CG P48736 1/20 0.43
CDK2 P24941 1/20 0.43
FLT3 P36888 1/20 0.43
CCNA1 P78396 1/20 0.43

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
SCHEMBL7121729 0.91 EGFR (0.49) EGFRERBB2ERBB4
SCHEMBL7117608 0.85 EGFR (0.54) EGFRERBB2ERBB4CDK2FLT3
SCHEMBL7234893 0.83 EGFR (0.57) EGFRERBB2ERBB4
SCHEMBL7116202 0.82 EGFR (0.71) EGFRERBB2ERBB4
SCHEMBL7241925 0.81 EGFR (0.56) EGFRERBB2ERBB4FLT3
SCHEMBL7122286 0.79 EGFR (0.47) EGFRERBB2
SCHEMBL7117656 0.79 EGFR (0.48) EGFRERBB2ERBB4FLT3
SCHEMBL7125412 0.78 EGFR (0.48) EGFRERBB2ERBB4
SCHEMBL7242169 0.78 ERBB2 (0.51) EGFRERBB2ERBB4
SCHEMBL7127850 0.78 EGFR (0.64) EGFRERBB2ERBB4

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.