SCHEMBL21163515

SCHEMBL21163515

CCCNC(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(/C=C/c4ccc(Nc5nc(Cl)nc(Nc6ccc(C(=O)NCCC)cc6)n5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.45
▸ PAK4 O96013 4/20 0.45
▸ MAPK8 P45983 4/20 0.45
▸ LRRK2 Q5S007 4/20 0.45
▸ CLK4 Q9HAZ1 4/20 0.45
▸ DAPK3 O43293 3/20 0.45
▸ JAK2 O60674 3/20 0.45
▸ RET P07949 3/20 0.45
▸ LTK P29376 3/20 0.45
▸ KDR P35968 3/20 0.45
▸ MAP2K2 P36507 3/20 0.45
▸ MAPK9 P45984 3/20 0.45
▸ CLK2 P49760 3/20 0.45
▸ RPS6KA3 P51812 3/20 0.45
▸ JAK3 P52333 3/20 0.45
▸ CDK5 Q00535 3/20 0.45
▸ MAP2K1 Q02750 3/20 0.45
▸ MST1R Q04912 3/20 0.45
▸ PTK2 Q05397 3/20 0.45
▸ MAP4K2 Q12851 3/20 0.45

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
SCHEMBL14602560 0.91 CA12 (0.45) CLK2KMT2AMEN1MAPTCACNA1B
SCHEMBL14602563 0.88 ENPP2 (0.46) PTK2KMT2AMEN1MAPTCACNA1B
SCHEMBL14641137 0.86 CA2 (0.48) AURKAPAK4MAPK8LRRK2CLK4
SCHEMBL21163672 0.86 AURKA (0.41) AURKAPAK4MAPK8LRRK2CLK4
SCHEMBL15729868 0.84 NPC1 (0.45) KMT2AMEN1MAPTCACNA1BAPBA1
SCHEMBL14602555 0.83 MEN1 (0.55) ALKKMT2AMEN1MAPTCACNA1B
SCHEMBL14384343 0.83 AURKA (0.59) AURKAPAK4MAPK8LRRK2CLK4
SCHEMBL14602564 0.83 CHAT (0.44) KDRKMT2AMEN1MAPTCACNA1B
SCHEMBL2205601 0.81 CA12 (0.47) KMT2AMEN1MAPTCACNA1BAPBA1
SCHEMBL18043806 0.81 CA12 (0.47) KMT2AMEN1MAPTCACNA1BAPBA1

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-20190209572-A1 BIFUNCTIONAL ANTIFUNGAL AGENTS AND METHODS OF TREATING FUNGAL INFECTION MERCK SHARP & DOHME CORP. 2019-07-11 — — 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-20190209572-A1 BIFUNCTIONAL ANTIFUNGAL AGENTS AND METHODS OF TREATING FUNGAL INFECTION ERG28, PAICS, BAK1 AURKA 150/4885PAK4 1872/4885MAPK8 2334/4885

“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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