Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073846

SCHEMBL10073846

SCHEMBL10073846

O=S(=O)(NC1CCC(c2ccccc2)CC1CO)c1n[nH]c2ncccc12

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ NR3C1 P04150 3/20 0.31
▸ HCRTR2 O43614 3/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C1 Q04828 1/20 0.30
▸ MCOLN2 Q8IZK6 1/20 0.30
▸ MCOLN3 Q8TDD5 1/20 0.30
▸ MCOLN1 Q9GZU1 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30
▸ TRPV1 Q8NER1 4/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ FFAR2 O15552 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
SCHEMBL10072938 0.83 ALOX5AP (0.41) ALOX5APFEN1ALDH1A1MCOLN3RPS6KB1
SCHEMBL13473504 0.77 TBXA2R (0.32) —
SCHEMBL12243451 0.71 ADAM17 (0.32) —
SCHEMBL10072915 0.69 — —
SCHEMBL10072917 0.68 GCK (0.36) ALDH1A1MCOLN3
SCHEMBL14310592 0.66 AKR1C3 (0.42) AKR1C3AKR1C1
SCHEMBL10073159 0.66 ALDH1A1 (0.35) ALDH1A1NR3C1
SCHEMBL10073641 0.66 BRD4 (0.39) ALDH1A1MCOLN3
SCHEMBL10073463 0.66 ALDH1A1 (0.32) ALDH1A1MCOLN3FFAR2
SCHEMBL13473561 0.65 JAK3 (0.32) FFAR2

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 ALOX5AP 3111/4885FEN1 1582/4885ALDH1A1 3237/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ALOX5AP 3111/4885FEN1 1582/4885ALDH1A1 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.