SCHEMBL4196623

SCHEMBL4196623

C=Cc1ccc2ncc(N3CCOCC3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.47
▸ RAB9A P51151 8/20 0.47
▸ MAPT P10636 6/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ HPGD P15428 5/20 0.47
▸ GAA P10253 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ HRH4 Q9H3N8 3/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42

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
SCHEMBL4196683 0.86 ALDH3A1 (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL3091537 0.81 PIK3CA (0.55) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL19647636 0.79 ALDH1A1 (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL29414460 0.79 SMN1; SMN2 (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL30385769 0.79 HRH4 (0.62) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL25202999 0.79 HRH4 (0.62) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL1442764 0.79 SMN1; SMN2 (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL12811929 0.79 HPGD (0.47) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL12812428 0.77 CDK6 (0.54) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL24830044 0.76 NPC1 (0.71) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170848-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 — — US disclosed
EP-1993537-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 — — EP disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 — — US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 — — EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 — — EP disclosed
WO-2007103756-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 — — WO disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 — — 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 (2 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-20090170848-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA NPC1 2430/4885RAB9A 1514/4885MAPT 2228/4885
US-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 NPC1 2040/4885RAB9A 1181/4885MAPT 1880/4885

“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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