SCHEMBL10073650

SCHEMBL10073650

COc1ccccc1C1CCN(S(=O)(=O)c2n[nH]c3ncccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MCOLN1 Q9GZU1 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
HTR2C P28335 2/20 0.40
ADRA1B P35368 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 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
SCHEMBL10072903 0.78 ROCK2 (0.41) MAPTLMNACDK9
SCHEMBL10072897 0.77 COMT (0.49) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL10072929 0.76 KDM4E (0.48) MEN1KMT2AGAAALDH1A1
SCHEMBL10072905 0.75 KDM4E (0.50) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL10072932 0.75 NAMPT (0.47) MEN1KMT2AGAAALDH1A1HSD17B10
SCHEMBL10072891 0.75 DRD2 (0.42) MAPK1DRD2HTR1AMAPT
SCHEMBL12243395 0.75 GRM4 (0.39)
SCHEMBL10072940 0.74 COMT (0.39)
SCHEMBL10072931 0.74 JAK2 (0.42)
SCHEMBL10073468 0.72 KMT2A (0.48) KMT2AGAAALDH1A1USP2HSD17B10

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 MCOLN2 4573/4885MCOLN3 3972/4885MCOLN1 4546/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA MCOLN2 4573/4885MCOLN3 3972/4885MCOLN1 4546/4885

“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.