SCHEMBL14833240

SCHEMBL14833240

Nc1nc(C2CCOCC2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.44
▸ LMNA P02545 1/20 0.34
▸ PIK3CA P42336 3/20 0.33
▸ MTOR P42345 3/20 0.33
▸ PDE8B O95263 1/20 0.33
▸ GSK3A P49840 3/20 0.32
▸ GSK3B P49841 3/20 0.32
▸ TDP2 O95551 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ DAO P14920 1/20 0.30
▸ GFER P55789 1/20 0.30

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
SCHEMBL18037592 0.89 GAA (0.39) GAALMNA
SCHEMBL31387261 0.86 — —
SCHEMBL30784984 0.75 PIK3CA (0.39) PIK3CAMTORPDE8BTDP2
SCHEMBL19127856 0.74 HTR1D (0.39) GAA
SCHEMBL18037528 0.70 L3MBTL1 (0.39) GAALMNAPDE8B
SCHEMBL22572979 0.69 AOC3 (0.39) GAAPIK3CAPDE8BDAO
SCHEMBL25036642 0.68 CHIT1 (0.33) GAAGFER
SCHEMBL2945106 0.67 PDE8B (0.35) PIK3CAMTORPDE8BTDP2
SCHEMBL4016705 0.64 DAO (0.47) GSK3AGSK3BDAO
SCHEMBL1988296 0.64 KDM5B (0.37) PIK3CAPDE8BDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251341-A1 SUBSTITUTED TRIAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2016-09-01 — — US disclosed
WO-2013049591-A2 DUAL INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF VERSEON CORPORATION (US) 2013-04-04 — — WO 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-20160251341-A1 SUBSTITUTED TRIAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, SERPINB1, PRSS1 GAA 727/4885LMNA 1122/4885PIK3CA 1191/4885

“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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