SCHEMBL13857429

SCHEMBL13857429

Cc1cc(Nc2cc(Nc3cccc(NC(=O)[C@@H]4CO4)c3)ncn2)ccc1OCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 14/20 0.49
▸ EGFR P00533 13/20 0.49
▸ TUBB4A P04350 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45
▸ TUBA1A Q71U36 1/20 0.45
▸ TUBA1C Q9BQE3 1/20 0.45
▸ TUBB6 Q9BUF5 1/20 0.45
▸ TUBB2B Q9BVA1 1/20 0.45
▸ TUBB1 Q9H4B7 1/20 0.45
▸ LCK P06239 1/20 0.44
▸ AURKA O14965 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42

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
SCHEMBL12262276 0.90 ERBB2 (0.54) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL13857447 0.83 ERBB2 (0.47) ERBB2EGFRTUBB4ATUBBTUBA3C
SCHEMBL12310644 0.81 ERBB2 (0.47) ERBB2EGFRTUBB4ATUBBTUBA3C
SCHEMBL12262304 0.74 ERBB2 (0.54) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL12322295 0.73 EGFR (0.57) ERBB2EGFRLCKERBB4
SCHEMBL691817 0.73 EGFR (0.70) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL12262301 0.71 ERBB2 (0.52) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL16158790 0.71 ERBB2 (0.56) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL8308380 0.71 EGFR (0.82) ERBB2EGFRLCKAURKARPS6KB1
SCHEMBL13542769 0.71 PIP4K2A (0.46) ERBB2EGFRERBB4

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 1981/4885TUBB4A 1114/4885

“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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