SCHEMBL454986

SCHEMBL454986

CC1(C)OB(c2cncc(S(=O)(=O)Nc3ccc(F)cc3F)c2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
PIK3C3 Q8NEB9 1/20 0.48
PIK3CA P42336 1/20 0.45
MOGAT2 Q3SYC2 7/20 0.44
PRF1 P14222 1/20 0.42
MGAT2 Q10469 6/20 0.42
MGAT3 Q09327 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL15091833 0.80 CA1 (0.49) LMNAMOGAT2CA1CA2CA9
SCHEMBL9952995 0.80 LMNA (0.49) LMNAPIK3C3PIK3CACA1CA2
SCHEMBL462147 0.79 PIK3CB (0.55) PIK3CAPRF1
SCHEMBL9953720 0.78 ALPL (0.62) PIK3C3PIK3CA
SCHEMBL15092126 0.77 AXL (0.45) LMNAMOGAT2MGAT2MGAT3CA1
SCHEMBL14247351 0.77 CA1 (0.39) CA1CA2CA9
SCHEMBL9953341 0.77 ALPL (0.51) LMNAPIK3CATSHRHSD17B10
SCHEMBL30720423 0.76 AXL (0.44) LMNAMOGAT2CA1CA2CA9
SCHEMBL790655 0.75 PIK3C3 (0.53) PIK3C3PIK3CA
SCHEMBL3109727 0.74 LMNA (0.59) LMNAPIK3C3PIK3CAMOGAT2PRF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2011121317-A1 IMIDAZO [2,1-B] [1,3,4] THIADIAZOLES AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-10-06 WO disclosed
US-20100179143-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
EP-2154965-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS Glaxosmithkline LLC (US) 2010-02-24 EP disclosed
WO-2008150827-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 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-20100179143-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS INPP5D, PI4KA, PTEN LMNA 3236/4885PIK3C3 19/4885PIK3CA 6/4885

“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.