SCHEMBL5078469

SCHEMBL5078469

[CH2]C#Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.60
EGFR P00533 8/20 0.60
ERBB3 P21860 1/20 0.60
ERBB4 Q15303 1/20 0.60
FECH P22830 1/20 0.55
CDK8 P49336 1/20 0.55
MAP2K5 Q13163 1/20 0.55
CDK19 Q9BWU1 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
KCNH2 Q12809 3/20 0.49

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
SCHEMBL6476691 0.91 EGFR (0.51) ERBB2EGFRERBB3ERBB4FECH
SCHEMBL4619310 0.90 ERBB2 (0.58) ERBB2EGFRERBB3ERBB4FECH
SCHEMBL6483391 0.89 ERBB2 (0.49) ERBB2EGFRERBB3ERBB4FECH
SCHEMBL6177639 0.88 ERBB2 (0.58) ERBB2EGFRERBB3ERBB4FECH
SCHEMBL215055 0.88 ERBB2 (0.58) ERBB2EGFRERBB3ERBB4FECH
SCHEMBL6173604 0.88 ERBB2 (0.57) ERBB2EGFRERBB3ERBB4FECH
SCHEMBL4616817 0.88 ERBB2 (0.58) ERBB2EGFRERBB3ERBB4FECH
SCHEMBL6174169 0.86 ERBB2 (0.55) ERBB2EGFRERBB3ERBB4FECH
SCHEMBL24832693 0.85 ERBB2 (0.68) ERBB2EGFRERBB3ERBB4FECH
SCHEMBL6174286 0.85 ERBB2 (0.54) ERBB2EGFRERBB3ERBB4FECH

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor FRIZER INC. 2008-08-14 US disclosed
US-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer PFIZER INC 2005-05-12 US disclosed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 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 (2 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-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer ERBB2, ERBB3, EGFR ERBB2 1/4885EGFR 3/4885ERBB3 2/4885
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor ERBB2, ERBB3, EGFR ERBB2 1/4885EGFR 3/4885ERBB3 2/4885

“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.