SCHEMBL10073644

SCHEMBL10073644

COc1cc(CNS(=O)(=O)c2n[nH]c3ncccc23)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
EGLN1 Q9GZT9 1/20 0.42
TNF P01375 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP19A1 P11511 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
GLO1 Q04760 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PKM P14618 1/20 0.39
NSD2 O96028 1/20 0.38

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
SCHEMBL10073648 0.81 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2GAAPKM
SCHEMBL12243435 0.80 NAMPT (0.49) TNF
SCHEMBL10073654 0.79 LMNA (0.53) ALDH1A1LMNASMN1; SMN2MEN1GAA
SCHEMBL10073647 0.78 ALDH1A1 (0.47) ALDH1A1LMNACNR1NSD2
SCHEMBL10074043 0.78 ALDH1A1 (0.48) ALDH1A1LMNANSD2
SCHEMBL10072937 0.77 KDM4E (0.37) ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL13473510 0.76 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2GAA
SCHEMBL10073840 0.76 ROCK2 (0.48) LMNAKMT2ACYP19A1
SCHEMBL13473572 0.76 ALDH1A1 (0.42) ALDH1A1LMNAKMT2ACNR1NSD2
SCHEMBL10073838 0.73 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2PKM

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 ALDH1A1 3237/4885LMNA 3403/4885SMN1; SMN2 2765/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ALDH1A1 3237/4885LMNA 3403/4885SMN1; SMN2 2765/4885

“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.