SCHEMBL10074046

SCHEMBL10074046

COC[C@H]1CCCN1S(=O)(=O)c1n[nH]c2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
JAK3 P52333 2/20 0.47
TYK2 P29597 1/20 0.47
CASP3 P42574 12/20 0.47
CASP7 P55210 11/20 0.47
CASP9 P55211 1/20 0.47
COMT P21964 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
RORC P51449 1/20 0.39

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
SCHEMBL10072913 0.85 COMT (0.42) NAMPTJAK2JAK1JAK3CASP3
SCHEMBL10073640 0.85 ALOX15 (0.49) NAMPTCOMTHRH3
SCHEMBL10072922 0.81 ALOX15 (0.54) NAMPT
SCHEMBL10072901 0.78 PIM1 (0.44) CASP7
SCHEMBL10073467 0.77 CYP3A4 (0.57)
SCHEMBL10073468 0.74 KMT2A (0.48) NAMPTJAK2JAK3
SCHEMBL10072892 0.74 CYP3A4 (0.62)
SCHEMBL10072897 0.73 COMT (0.49) COMT
SCHEMBL10073457 0.73 ACHE (0.46) NAMPTJAK2JAK1JAK3TYK2
SCHEMBL10072920 0.73 ACHE (0.38) NAMPTJAK2JAK1JAK3TYK2

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 NAMPT 962/4885JAK2 137/4885JAK1 48/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA NAMPT 962/4885JAK2 137/4885JAK1 48/4885

“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.