Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073845

SCHEMBL10073845

SCHEMBL10073845

COc1cc(CC[C@@H](C)NS(=O)(=O)c2n[nH]c3ncccc23)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TDP2 O95551 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ TMEM97 Q5BJF2 4/20 0.42
▸ POLB P06746 2/20 0.40
▸ SIGMAR1 Q99720 3/20 0.40
▸ KCNH2 Q12809 3/20 0.40
▸ HTR1A P08908 3/20 0.39
▸ ADRB2 P07550 2/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ OR51E2 Q9H255 1/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ CYP2C9 P11712 4/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BLM P54132 1/20 0.39

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 0.76 NR3C1 (0.42) POLBCYP2C9CYP2C19CYP1A2
SCHEMBL13473510 0.70 ALDH1A1 (0.39) GAATSHR
SCHEMBL10073639 0.70 MET (0.33) MEN1KMT2ANPSR1
SCHEMBL10073652 0.69 ALDH1A1 (0.33) CYP3A4CYP2C19
SCHEMBL13473571 0.69 ITGB3 (0.38) ADRB2CYP3A4CYP2C19
SCHEMBL16364799 0.68 GAA (0.67) GAAATMTMEM97SIGMAR1HTR1A
SCHEMBL19117433 0.68 GAA (0.67) GAAATMTMEM97SIGMAR1HTR1A
SCHEMBL10073648 0.68 ALDH1A1 (0.42) GAAPOLBCYP3A4CYP2C19CYP2D6
SCHEMBL14731908 0.66 GAA (0.72) GAAATMTMEM97SIGMAR1KCNH2
SCHEMBL8294109 0.65 TAAR1 (0.67) GAAATMTMEM97SIGMAR1HTR1A

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 GAA 1192/4885ATM 621/4885TDP2 849/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA GAA 1192/4885ATM 621/4885TDP2 849/4885

“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.