SCHEMBL13857443

SCHEMBL13857443

Cc1cc(Nc2cc(Nc3cccc(NC(=O)C4(S(C)(=O)=O)CC4)c3)ncn2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.47
▸ KDR P35968 2/20 0.47
▸ EGFR P00533 8/20 0.43
▸ ERBB4 Q15303 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42
▸ TUBB6 Q9BUF5 1/20 0.42
▸ TUBB2B Q9BVA1 1/20 0.42
▸ TUBB1 Q9H4B7 1/20 0.42
▸ TNNI3K Q59H18 8/20 0.41

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
SCHEMBL12262302 0.89 MET (0.46) METKDREGFRERBB4TUBB4A
SCHEMBL14773112 0.87 MET (0.46) METKDREGFRERBB4TUBB4A
SCHEMBL12310628 0.83 BACE1 (0.45) METKDREGFRERBB4TUBB4A
SCHEMBL13857447 0.80 ERBB2 (0.47) METKDREGFRTUBB4ATUBB
SCHEMBL13857445 0.75 PIP4K2A (0.44) EGFRERBB4TUBB4ATUBBTUBA3C
SCHEMBL13857438 0.74 BRAF (0.44) METEGFRERBB3
SCHEMBL12262304 0.74 ERBB2 (0.54) EGFRERBB4ERBB3
SCHEMBL12517787 0.73 TNNI3K (0.77) EGFRTNNI3K
SCHEMBL13857436 0.73 EGFR (0.42) KDREGFRERBB4TUBB4ATUBB
SCHEMBL12510779 0.73 LMNA (0.60) EGFR

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 MET 1908/4885KDR 2602/4885EGFR 1981/4885

“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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