Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073459

SCHEMBL10073459

SCHEMBL10073459

CC(C)CC[C@H](C)NS(=O)(=O)c1n[nH]c2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NR3C1 P04150 8/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PSMB5 P28074 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KAT2B Q92831 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL10073162 0.84 NR3C1 (0.42) NR3C1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10073639 0.82 MET (0.33) SMN1; SMN2NR3C1ALDH1A1MEN1HTT
SCHEMBL10073159 0.81 ALDH1A1 (0.35) NR3C1ALDH1A1HTT
SCHEMBL10073652 0.79 ALDH1A1 (0.33) NR3C1ALDH1A1CYP2C19
SCHEMBL10073845 0.77 GAA (0.47) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL10073849 0.77 NR3C1 (0.36) NR3C1ALDH1A1HTT
SCHEMBL13473567 0.75 NR3C1 (0.31) NR3C1ALDH1A1
SCHEMBL10072911 0.75 UTS2R (0.39) SMN1; SMN2NR3C1ALDH1A1HTTKMT2A
SCHEMBL10072921 0.75 CNR1 (0.39) SMN1; SMN2NR3C1ALDH1A1MEN1KMT2A
SCHEMBL10073848 0.75 KMT2A (0.35) KMT2AGAA

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 SMN1; SMN2 2765/4885NR3C1 1508/4885ALDH1A1 3237/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA SMN1; SMN2 2765/4885NR3C1 1508/4885ALDH1A1 3237/4885

“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.