Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072903

SCHEMBL10072903

SCHEMBL10072903

CN(C)C1CCN(S(=O)(=O)c2n[nH]c3ncccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.41
▸ ROCK1 Q13464 4/20 0.41
▸ HSD11B1 P28845 1/20 0.39
▸ USP5 P45974 1/20 0.39
▸ ALOX5AP P20292 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CDK6 Q00534 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ JAK2 O60674 4/20 0.37
▸ JAK1 P23458 3/20 0.37
▸ CDC7 O00311 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 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
SCHEMBL10072931 0.93 JAK2 (0.42) ROCK2ROCK1HSD11B1JAK2JAK1
SCHEMBL10072897 0.82 COMT (0.49) CYP3A4TSHRNFKB1THPOHIF1A
SCHEMBL10072929 0.81 KDM4E (0.48) ALKNAMPT
SCHEMBL10072905 0.81 KDM4E (0.50) CYP3A4TSHRNFKB1THPOHIF1A
SCHEMBL10072932 0.81 NAMPT (0.47) TSHRNAMPTLMNAMAPT
SCHEMBL12243395 0.81 GRM4 (0.39) FEN1JAK2JAK1RETKDR
SCHEMBL10072891 0.81 DRD2 (0.42) ALOX5APFEN1TSHRMAPT
SCHEMBL10072940 0.80 COMT (0.39) ALOX5APFEN1JAK2JAK1CDC7
SCHEMBL10073468 0.78 KMT2A (0.48) JAK2JAK3TSHRNAMPTLMNA
SCHEMBL10073650 0.78 MCOLN2 (0.41) CDK9LMNAMAPT

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 ROCK2 309/4885ROCK1 320/4885HSD11B1 2810/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ROCK2 309/4885ROCK1 320/4885HSD11B1 2810/4885

“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.