Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073849

SCHEMBL10073849

SCHEMBL10073849

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.36
▸ NR3C2 P08235 7/20 0.36
▸ PGR P06401 6/20 0.34
▸ GSK3B P49841 2/20 0.33
▸ SLC40A1 Q9NP59 2/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NTRK1 P04629 2/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ IDH2 P48735 1/20 0.31
▸ COMT P21964 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL10073159 0.85 ALDH1A1 (0.35) NR3C1NR3C2PGRGSK3BGSK3A
SCHEMBL12243439 0.80 ALOX5AP (0.40) SLC40A1
SCHEMBL10072898 0.80 ALOX5AP (0.40) SLC40A1
SCHEMBL10073639 0.78 MET (0.33) NR3C1GSK3BSLC40A1GSK3AALDH1A1
SCHEMBL10072911 0.77 UTS2R (0.39) NR3C1GSK3BGSK3AALDH1A1KDM4E
SCHEMBL10073459 0.77 SMN1; SMN2 (0.36) NR3C1ALDH1A1HTT
SCHEMBL10073652 0.76 ALDH1A1 (0.33) NR3C1GSK3BGSK3AALDH1A1MAPT
SCHEMBL10073162 0.76 NR3C1 (0.42) NR3C1GSK3BALDH1A1KDM4EHPGD
SCHEMBL10072893 0.75 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL10073842 0.74 TDP1 (0.39) SLC40A1ALDH1A1KDM4EMAPTHTT

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 NR3C1 1508/4885NR3C2 1918/4885PGR 2819/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA NR3C1 1508/4885NR3C2 1918/4885PGR 2819/4885

“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.