SCHEMBL10072898

SCHEMBL10072898

O=S(=O)(NC(c1ccccc1)C(F)(F)F)c1n[nH]c2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.40
FEN1 P39748 5/20 0.40
SCN1A P35498 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SLC40A1 Q9NP59 3/20 0.35
MET P08581 1/20 0.34
TACR3 P29371 1/20 0.33
MAPK1 P28482 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
MOGAT2 Q3SYC2 2/20 0.32
MGAT2 Q10469 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
AURKA O14965 1/20 0.31
PARP1 P09874 1/20 0.31

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
SCHEMBL12243439 1.00 ALOX5AP (0.40) ALOX5APFEN1SCN1ASCN5ASCN8A
SCHEMBL10073849 0.80 NR3C1 (0.36) SLC40A1
SCHEMBL10072894 0.79 AOC3 (0.36) METAURKAPARP1
SCHEMBL10072924 0.78 KAT2B (0.33) SLC40A1MET
SCHEMBL10072921 0.75 CNR1 (0.39) ALOX5APFEN1
SCHEMBL10073161 0.75 LMNA (0.40) SCN1AMET
SCHEMBL10073639 0.75 MET (0.33) SLC40A1METAURKAPARP1
SCHEMBL10073159 0.74 ALDH1A1 (0.35) METAURKAPARP1
SCHEMBL10072893 0.71 ALDH1A1 (0.41) ALOX5APFEN1METMAPK1AURKA
SCHEMBL10073459 0.71 SMN1; SMN2 (0.36)

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA ALOX5AP 3111/4885FEN1 1582/4885SCN1A 2658/4885

“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.