Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073641

SCHEMBL10073641

SCHEMBL10073641

CC(C)(C)C1CCC(NS(=O)(=O)c2n[nH]c3ncccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ CDC7 O00311 3/20 0.37
▸ DAPK3 O43293 2/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ MAP4K4 O95819 2/20 0.37
▸ PAK4 O96013 2/20 0.37
▸ PRKACA P17612 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ CLK2 P49760 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ PRKX P51817 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ MAP4K2 Q12851 2/20 0.37
▸ STK3 Q13188 2/20 0.37

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
SCHEMBL10072893 0.76 ALDH1A1 (0.41) ALDH1A1LMNAJAK3KDM4EMAPK1
SCHEMBL10072925 0.74 ALDH1A1 (0.50) BRD4ALDH1A1LMNAMCOLN3CDC7
SCHEMBL10073463 0.72 ALDH1A1 (0.32) BRD4ALDH1A1LMNAMCOLN3
SCHEMBL13473561 0.71 JAK3 (0.32) CDC7DAPK3ROCK2MAP4K4PAK4
SCHEMBL10073160 0.71 ALDH1A1 (0.38) ALDH1A1LMNAGSK3BKDM4ECNR2
SCHEMBL10072910 0.71 ALOX5AP (0.36) ALDH1A1GSK3BKDM4E
SCHEMBL12243475 0.71 MET (0.39) GSK3B
SCHEMBL10072938 0.70 ALOX5AP (0.41) BRD4ALDH1A1LMNAMCOLN3CDC7
SCHEMBL10073166 0.70 APP (0.52) CNR2
SCHEMBL10073159 0.70 ALDH1A1 (0.35) ALDH1A1GSK3BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445681-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-21 — — US disclosed
EP-2514751-A1 Azaindazoles useful as inhibitor of kinases Vertex Pharmaceuticals, Inc. (US) 2012-10-24 — — EP disclosed
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED 2012-06-28 — — US disclosed
US-8017781-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 — — US disclosed
US-8017781-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 — — US disclosed
US-20070179177-A1 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — US disclosed
US-20070179177-A1 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 — — US disclosed
WO-2007059219-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-24 — — 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-20070179177-A1 Azaindazoles useful as inhibitors of kinases PRKDC, MAP3K20, PRKACA BRD4 666/4885ALDH1A1 3237/4885LMNA 3403/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA BRD4 666/4885ALDH1A1 3237/4885LMNA 3403/4885

“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.