SCHEMBL13857447

SCHEMBL13857447

Cc1cc(Nc2cc(Nc3cccc(NC(=O)C4(S(C)(=O)=O)CC4)c3)ncn2)ccc1OCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 12/20 0.47
▸ EGFR P00533 9/20 0.47
▸ LCK P06239 1/20 0.43
▸ MET P08581 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ AURKA O14965 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ KCNH2 Q12809 4/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL12262304 0.91 ERBB2 (0.54) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL12310644 0.86 ERBB2 (0.47) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL13857429 0.83 ERBB2 (0.49) ERBB2EGFRLCKKDRAURKA
SCHEMBL13857443 0.80 MET (0.47) EGFRMETKDRTUBB4ATUBB
SCHEMBL12262301 0.76 ERBB2 (0.52) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL14773075 0.75 ERBB2 (0.40) ERBB2EGFRLCKMETKDR
SCHEMBL12262302 0.73 MET (0.46) ERBB2EGFRMETKDRSMN1; SMN2
SCHEMBL12262276 0.73 ERBB2 (0.54) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL14773112 0.73 MET (0.46) EGFRMETKDRTUBB4ATUBB
SCHEMBL691817 0.72 EGFR (0.70) ERBB2EGFRLCKAURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 — — 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-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ERBB2 918/4885EGFR 1981/4885LCK 1775/4885

“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.

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