Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072894

SCHEMBL10072894

SCHEMBL10072894

O=S(=O)(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)c1n[nH]c2ncccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.36
▸ SLC10A1 Q14973 2/20 0.34
▸ MET P08581 1/20 0.34
▸ TDP2 O95551 1/20 0.33
▸ NSD2 O96028 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GMNN O75496 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL12243439 0.79 ALOX5AP (0.40) METAURKAPARP1
SCHEMBL10072898 0.79 ALOX5AP (0.40) METAURKAPARP1
SCHEMBL10072924 0.76 KAT2B (0.33) METALDH1A1KDM4ELMNACDC7
SCHEMBL10072921 0.75 CNR1 (0.39) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL10073161 0.75 LMNA (0.40) METALDH1A1KDM4ELMNAHPGD
SCHEMBL10073652 0.75 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL10073639 0.75 MET (0.33) METALDH1A1LMNAHPGDKMT2A
SCHEMBL10072941 0.74 MAPK1 (0.39) AKT1
SCHEMBL10073159 0.74 ALDH1A1 (0.35) METALDH1A1KDM4EPOLBMAPT
SCHEMBL10073163 0.71 MEN1 (0.40) ALDH1A1KDM4ELMNAPOLBMAPT

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 AOC3 3381/4885SLC10A1 4334/4885MET 2466/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA AOC3 3381/4885SLC10A1 4334/4885MET 2466/4885

“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.