Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072893

SCHEMBL10072893

SCHEMBL10072893

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NSD2 O96028 2/20 0.40
▸ JAK2 O60674 5/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ MET P08581 1/20 0.38
▸ FTO Q9C0B1 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX5AP P20292 3/20 0.34
▸ FEN1 P39748 3/20 0.34

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
SCHEMBL10072910 0.85 ALOX5AP (0.36) ALDH1A1METFTOKDM4EHPGD
SCHEMBL10073160 0.85 ALDH1A1 (0.38) ALDH1A1MAPK1METFTOKDM4E
SCHEMBL12243475 0.80 MET (0.39) METFTOMAPTKMT2AFEN1
SCHEMBL12243428 0.79 TRPA1 (0.38) ALDH1A1JAK3KDM4EHPGDMEN1
SCHEMBL10073653 0.79 GSK3A (0.35) ALDH1A1METFTOKDM4EHPGD
SCHEMBL10073164 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL10073647 0.79 ALDH1A1 (0.47) ALDH1A1NSD2KDM4EHPGDLMNA
SCHEMBL10073639 0.77 MET (0.33) ALDH1A1METFTOHPGDMEN1
SCHEMBL10073655 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMEN1NPC1
SCHEMBL13473564 0.76 FTO (0.41) MAPK1METFTOLMNAKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 3237/4885MAPK1 173/4885NSD2 1061/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ALDH1A1 3237/4885MAPK1 173/4885NSD2 1061/4885

“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.