Sugi Predict

Sugi Predict / Compounds / SCHEMBL10073646

SCHEMBL10073646

SCHEMBL10073646

CC(=O)N[C@@H]1CCN(S(=O)(=O)c2n[nH]c3ncccc23)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ AXL P30530 3/20 0.37
▸ MET P08581 1/20 0.37
▸ ALOX5AP P20292 2/20 0.37
▸ FEN1 P39748 2/20 0.37
▸ JAK3 P52333 3/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ CLK2 P49760 1/20 0.36

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
SCHEMBL10073452 1.00 VNN1 (0.38) VNN1KDM5AAXLMETALOX5AP
SCHEMBL10072940 0.82 COMT (0.39) VNN1ALOX5APFEN1JAK3CDC7
SCHEMBL12243395 0.81 GRM4 (0.39) FEN1JAK3JAK2
SCHEMBL10072931 0.80 JAK2 (0.42) ROCK2JAK2
SCHEMBL10072932 0.78 NAMPT (0.47) RAB9A
SCHEMBL10073468 0.78 KMT2A (0.48) JAK3JAK2
SCHEMBL10072903 0.77 ROCK2 (0.41) ALOX5APFEN1JAK3CDC7DAPK3
SCHEMBL10072929 0.77 KDM4E (0.48) —
SCHEMBL10072891 0.76 DRD2 (0.42) ALOX5APFEN1
SCHEMBL10072926 0.76 ACLY (0.44) JAK3MMP2MMP13JAK2

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
US-8445681-B2 Azaindazoles useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-21 — — US 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 VNN1 4236/4885KDM5A 552/4885AXL 1189/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA VNN1 4236/4885KDM5A 552/4885AXL 1189/4885

“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.