Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072910

SCHEMBL10072910

SCHEMBL10072910

CC(CO)(CO)NS(=O)(=O)c1n[nH]c2ncccc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.36
▸ FEN1 P39748 2/20 0.36
▸ FTO Q9C0B1 1/20 0.36
▸ COMT P21964 1/20 0.35
▸ MET P08581 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ UQCRB P14927 1/20 0.33
▸ EDNRA P25101 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.32
▸ TLR8 Q9NR97 2/20 0.32
▸ TLR7 Q9NYK1 2/20 0.32

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 0.85 ALDH1A1 (0.41) ALOX5APFEN1FTOMETKMT2A
SCHEMBL10073160 0.82 ALDH1A1 (0.38) FTOCOMTMETGSK3AGSK3B
SCHEMBL10073653 0.79 GSK3A (0.35) FTOCOMTMETGSK3AGSK3B
SCHEMBL12243428 0.77 TRPA1 (0.38) COMTCYP1A2GSK3AGSK3BKMT2A
SCHEMBL10073164 0.76 ALDH1A1 (0.41) KMT2AALDH1A1HPGDKDM4E
SCHEMBL10073652 0.75 ALDH1A1 (0.33) ALOX5APFEN1FTOGSK3AGSK3B
SCHEMBL12243475 0.74 MET (0.39) FEN1FTOMETGSK3AGSK3B
SCHEMBL10073655 0.74 ALDH1A1 (0.50) KMT2AALDH1A1HPGDKDM4EHSD17B10
SCHEMBL10073159 0.74 ALDH1A1 (0.35) FTOCOMTMETGSK3AGSK3B
SCHEMBL10073647 0.73 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EUQCRB

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 1582/4885FTO 3301/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ALOX5AP 3111/4885FEN1 1582/4885FTO 3301/4885

“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.