SCHEMBL10072941

SCHEMBL10072941

O=S(=O)(NC(CO)c1cc(Cl)cc(Cl)c1)c1n[nH]c2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.39
ROCK2 O75116 1/20 0.36
RPS6KA5 O75582 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKACA P17612 1/20 0.36
RPS6KB1 P23443 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PRKX P51817 1/20 0.36
NEK4 P51957 1/20 0.36
PRKCD Q05655 1/20 0.36
PRKG2 Q13237 1/20 0.36
ROCK1 Q13464 1/20 0.36
PRKG1 Q13976 1/20 0.36
PKN2 Q16513 1/20 0.36
CDC42BPA Q5VT25 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
CLK4 Q9HAZ1 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
SCHEMBL13473570 0.77
SCHEMBL10073652 0.77 ALDH1A1 (0.33) GSK3AGSK3BNR3C1ALOX5APFEN1
SCHEMBL10072894 0.74 AOC3 (0.36) AKT1
SCHEMBL10073159 0.73 ALDH1A1 (0.35) GSK3AGSK3BNR3C1
SCHEMBL10073848 0.72 KMT2A (0.35)
SCHEMBL10073639 0.72 MET (0.33) GSK3AGSK3BNR3C1
SCHEMBL10072917 0.71 GCK (0.36) GRM4CYP3A4P2RX7
SCHEMBL10073459 0.71 SMN1; SMN2 (0.36) NR3C1
SCHEMBL10073849 0.70 NR3C1 (0.36) GSK3AGSK3BNR3C1
SCHEMBL10073162 0.70 NR3C1 (0.42) ROCK2MAP4K4PRKACAGSK3BCLK4

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 MAPK1 173/4885ROCK2 309/4885RPS6KA5 247/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA MAPK1 173/4885ROCK2 309/4885RPS6KA5 247/4885

“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.