SCHEMBL10073166

SCHEMBL10073166

CC1(C)C2CC[C@](C)(C2)C1NS(=O)(=O)c1n[nH]c2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.52
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
CNR2 P34972 11/20 0.39
CNR1 P21554 7/20 0.39
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 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
SCHEMBL13473561 0.76 JAK3 (0.32)
SCHEMBL10072925 0.72 ALDH1A1 (0.50) CNR2
SCHEMBL10073651 0.72 FFAR2 (0.32)
SCHEMBL10073463 0.70 ALDH1A1 (0.32)
SCHEMBL10073641 0.70 BRD4 (0.39) CNR2
SCHEMBL10073843 0.68 CNR2 (0.38) CNR2CNR1
SCHEMBL12243475 0.67 MET (0.39)
SCHEMBL10072893 0.67 ALDH1A1 (0.41)
SCHEMBL10072938 0.67 ALOX5AP (0.41) CNR2CNR1
SCHEMBL10073657 0.67 NAMPT (0.38) CNR2CNR1

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 APP 4511/4885PSEN1 3033/4885PSEN2 2584/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA APP 4511/4885PSEN1 3033/4885PSEN2 2584/4885

“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.