Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072920

SCHEMBL10072920

SCHEMBL10072920

CC1CCC(C)N1S(=O)(=O)c1n[nH]c2ncccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ JAK3 P52333 6/20 0.36
▸ TYK2 P29597 5/20 0.36
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ HSD11B1 P28845 2/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 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
SCHEMBL10073457 0.95 ACHE (0.46) ACHENAMPTJAK3TYK2JAK2
SCHEMBL10073640 0.83 ALOX15 (0.49) NAMPTALOX15PSEN1PSEN2APH1B
SCHEMBL10072922 0.82 ALOX15 (0.54) NAMPTALOX15PSEN1PSEN2APH1B
SCHEMBL10073468 0.78 KMT2A (0.48) NAMPTJAK3JAK2HSD17B10ALDH1A1
SCHEMBL14538270 0.77 TYK2 (0.38) JAK3TYK2JAK2JAK1HSD11B1
SCHEMBL10072897 0.77 COMT (0.49) ALOX15ALDH1A1SMN1; SMN2
SCHEMBL10072903 0.77 ROCK2 (0.41) NAMPTJAK3JAK2JAK1HSD11B1
SCHEMBL12243395 0.76 GRM4 (0.39) NAMPTJAK3TYK2JAK2JAK1
SCHEMBL10072905 0.76 KDM4E (0.50) NAMPTALOX15ALDH1A1SMN1; SMN2
SCHEMBL12243475 0.75 MET (0.39) ALOX15GSK3B

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 ACHE 2302/4885NAMPT 962/4885JAK3 42/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ACHE 2302/4885NAMPT 962/4885JAK3 42/4885

“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.