Sugi Predict

Sugi Predict / Compounds / SCHEMBL10072938

SCHEMBL10072938

SCHEMBL10072938

O=S(=O)(N[C@H]1CCCC[C@H]1CO)c1n[nH]c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ GAA P10253 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ COMT P21964 1/20 0.33
▸ MCOLN3 Q8TDD5 1/20 0.33
▸ TBXA2R P21731 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ NPY5R Q15761 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ PLK4 O00444 1/20 0.32

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
SCHEMBL10073846 0.83 ALOX5AP (0.32) ALOX5APFEN1ALDH1A1MCOLN3RPS6KB1
SCHEMBL13473504 0.81 TBXA2R (0.32) TBXA2RCDK2GSK3AGSK3BCDK9
SCHEMBL10072917 0.78 GCK (0.36) ALDH1A1LMNAMCOLN3
SCHEMBL12243451 0.74 ADAM17 (0.32) —
SCHEMBL10073463 0.73 ALDH1A1 (0.32) ALDH1A1LMNAMCOLN3BRD4
SCHEMBL10072915 0.72 — —
SCHEMBL10073159 0.71 ALDH1A1 (0.35) ALDH1A1COMTGSK3AGSK3B
SCHEMBL10073641 0.70 BRD4 (0.39) ALDH1A1LMNACNR2MCOLN3BRD4
SCHEMBL10072910 0.69 ALOX5AP (0.36) ALOX5APFEN1ALDH1A1COMTGSK3A
SCHEMBL10073651 0.68 FFAR2 (0.32) —

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 ALOX5AP 3111/4885FEN1 1582/4885ALDH1A1 3237/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ALOX5AP 3111/4885FEN1 1582/4885ALDH1A1 3237/4885

“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.