Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072940

SCHEMBL10072940

SCHEMBL10072940

O=S(=O)(c1n[nH]c2ncccc12)N1CCC(O)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ ALOX5AP P20292 2/20 0.37
▸ FEN1 P39748 2/20 0.37
▸ TDO2 P48775 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ DBF4 Q9UBU7 1/20 0.36
▸ NAMPT P43490 5/20 0.36
▸ VNN1 O95497 1/20 0.36
▸ PIM1 P11309 4/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35

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
SCHEMBL12243395 0.84 GRM4 (0.39) COMTFEN1NAMPTJAK2JAK1
SCHEMBL10072931 0.83 JAK2 (0.42) NAMPTJAK2JAK1
SCHEMBL10073452 0.82 VNN1 (0.38) BRD4ALOX5APFEN1CDC7VNN1
SCHEMBL10073646 0.82 VNN1 (0.38) BRD4ALOX5APFEN1CDC7VNN1
SCHEMBL10072891 0.81 DRD2 (0.42) ALOX5APFEN1
SCHEMBL10073468 0.81 KMT2A (0.48) NAMPTJAK2JAK3
SCHEMBL10072932 0.81 NAMPT (0.47) NAMPT
SCHEMBL10072926 0.81 ACLY (0.44) COMTJAK2JAK1JAK3
SCHEMBL10072897 0.81 COMT (0.49) COMT
SCHEMBL10072903 0.80 ROCK2 (0.41) ALOX5APFEN1CDC7NAMPTPIM1

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 COMT 3171/4885BRD4 666/4885ALOX5AP 3111/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA COMT 3171/4885BRD4 666/4885ALOX5AP 3111/4885

“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.