SCHEMBL21499350

SCHEMBL21499350

CCn1nc(C(=O)Nc2ccc3c(c2)CCCCN3)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.56
▸ RPS6KB1 P23443 1/20 0.56
▸ RAB9A P51151 7/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ GAA P10253 1/20 0.47
▸ BLM P54132 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ PLAU P00749 1/20 0.45
▸ PDE7A Q13946 1/20 0.43
▸ PIR O00625 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ HSF1 Q00613 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ PTGER1 P34995 4/20 0.39

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
SCHEMBL21468514 0.85 AURKA (0.62) AURKARPS6KB1RAB9ANPC1GAA
SCHEMBL21499386 0.81 AURKA (0.44) AURKARPS6KB1RAB9ANPC1GAA
SCHEMBL21499387 0.75 PLAU (0.43) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL4776972 0.74 AURKA (0.54) AURKARPS6KB1RAB9ANPC1GAA
SCHEMBL14405138 0.74 AURKA (0.78) AURKARPS6KB1RAB9ANPC1GAA
SCHEMBL10255615 0.72 AURKA (1.00) AURKARPS6KB1RAB9ANPC1GAA
SCHEMBL691153 0.71 MAPT (0.60) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL21499352 0.70 PLAU (0.58) RAB9ANPC1MEN1KMT2APLAU
SCHEMBL5053574 0.70 PLAU (0.56) RAB9ANPC1GAAPLAUPIR
SCHEMBL30464664 0.70 PLAU (0.56) RAB9ANPC1GAAPLAUPIR

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-10450263-B2 Benzo annulenes as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2019-10-22 — — 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-10450263-B2 Benzo annulenes as antiviral agents MAVS, ZC3HAV1, GABBR1 AURKA 324/4885RPS6KB1 3084/4885RAB9A 1314/4885

“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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