SCHEMBL5077890

SCHEMBL5077890

COCC#Cc1ccc2ncncc2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.51
FGFR4 P22455 1/20 0.45
MELK Q14680 5/20 0.41
ALDH1A1 P00352 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
ITK Q08881 1/20 0.38
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36

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
SCHEMBL7959593 0.81 EGFR (0.51) EGFRFGFR4MELKALDH1A1PIK3CD
SCHEMBL7796162 0.72 EGFR (0.63) EGFRFGFR4MELKALDH1A1PDGFRB
SCHEMBL737948 0.72 EGFR (0.55) EGFRFGFR4ALDH1A1PIK3CDPIK3CA
SCHEMBL2011007 0.72 EGFR (0.55) EGFRFGFR4ALDH1A1PIK3CDPIK3CA
SCHEMBL30618089 0.72 EGFR (0.55) EGFRFGFR4PIK3CDPIK3CA
SCHEMBL3393275 0.72 EGFR (0.55) EGFRFGFR4PIK3CDPIK3CA
SCHEMBL30853054 0.72 EGFR (0.55) EGFRFGFR4PIK3CDPIK3CA
Hydrochloric Acid SCHEMBL30376208 0.70 EGFR (0.53) EGFRFGFR4PIK3CDPIK3CA
SCHEMBL27788810 0.70 EGFR (0.53) EGFRFGFR4PIK3CDPIK3CA
SCHEMBL7962437 0.69 EGFR (0.42) EGFRFGFR4PIK3CDPIK3CA

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-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

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 EGFR 3/4885FGFR4 17/4885MELK 214/4885
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor ERBB2, ERBB3, EGFR EGFR 3/4885FGFR4 47/4885MELK 131/4885

“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.