Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073844

SCHEMBL10073844

SCHEMBL10073844

N#CC1CCC(CNS(=O)(=O)c2n[nH]c3ncccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.37
▸ HPGD P15428 4/20 0.36
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ CNR2 P34972 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ UTS2R Q9UKP6 1/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ CRHR1 P34998 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PARG Q86W56 1/20 0.33
▸ HTT P42858 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
SCHEMBL10072937 0.68 KDM4E (0.37) HPGDALDH1A1TSHR
SCHEMBL10073657 0.68 NAMPT (0.38) CNR2
SCHEMBL10072911 0.68 UTS2R (0.39) HPGDALDH1A1TSHRPKMUTS2R
SCHEMBL10073647 0.68 ALDH1A1 (0.47) HPGDALDH1A1MAPTHTT
SCHEMBL10073161 0.67 LMNA (0.40) HPGDALDH1A1HTT
SCHEMBL10073644 0.67 ALDH1A1 (0.44) ALDH1A1CNR2PKM
SCHEMBL10073655 0.66 ALDH1A1 (0.50) HPGDALDH1A1PKMMAPT
SCHEMBL10072890 0.66 KMT2A (0.39) ALDH1A1TSHRMAPT
SCHEMBL10072917 0.66 GCK (0.36) ALDH1A1UTS2R
SCHEMBL10072938 0.66 ALOX5AP (0.41) ALDH1A1CNR2NPY5R

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 GBA1 1902/4885EGLN2 3941/4885HPGD 1752/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA GBA1 1902/4885EGLN2 3941/4885HPGD 1752/4885

“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.