SCHEMBL1406479

SCHEMBL1406479

CN(CCO)CCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.82
EGFR P00533 16/20 0.82
KCNH2 Q12809 2/20 0.59

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
SCHEMBL1406568 0.92 ERBB2 (0.85) ERBB2EGFRKCNH2
SCHEMBL1406420 0.90 ERBB2 (1.00) ERBB2EGFR
SCHEMBL1406370 0.90 ERBB2 (0.78) ERBB2EGFRKCNH2
SCHEMBL1406774 0.90 ERBB2 (0.92) ERBB2EGFR
SCHEMBL1406520 0.89 ERBB2 (0.76) ERBB2EGFRKCNH2
SCHEMBL1406983 0.87 ERBB2 (0.86) ERBB2EGFR
SCHEMBL1406559 0.86 ERBB2 (0.85) ERBB2EGFR
SCHEMBL1406427 0.86 ERBB2 (0.85) ERBB2EGFR
SCHEMBL1406697 0.86 ERBB2 (0.85) ERBB2EGFR
SCHEMBL3808188 0.86 ERBB2 (0.80) ERBB2EGFRKCNH2

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-7947676-B2 2-{[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy-}ethanol; erbB2 receptor tyrosine kinase inhibitor; anticarcinogenic, antitumor agnet; solid tumor and nonsolid such as leukaemia, multiple myeloma and lymphoma ASTRAZENECA AB (SE) 2011-05-24 US claimed
EP-1838712-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-03-09 EP claimed
US-20080108613-A1 Pyrazolopyrimidine Compounds as Antitumor Agents ASTRAZENECA AB (SE) 2008-05-08 US claimed
US-7947676-B2 2-{[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy-}ethanol; erbB2 receptor tyrosine kinase inhibitor; anticarcinogenic, antitumor agnet; solid tumor and nonsolid such as leukaemia, multiple myeloma and lymphoma ASTRAZENECA AB (SE) 2011-05-24 US disclosed
EP-1838712-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2011-03-09 EP disclosed
US-20080108613-A1 Pyrazolopyrimidine Compounds as Antitumor Agents ASTRAZENECA AB (SE) 2008-05-08 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-20080108613-A1 Pyrazolopyrimidine Compounds as Antitumor Agents ERBB2, ERBB3, ERBB4 ERBB2 1/4885EGFR 10/4885KCNH2 2942/4885

“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.