SCHEMBL10072911

SCHEMBL10072911

CC[C@H](C)CNS(=O)(=O)c1n[nH]c2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.39
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MAPT P10636 1/20 0.32
NR3C1 P04150 2/20 0.32
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
COMT P21964 1/20 0.32

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
SCHEMBL10073159 0.81 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDHSD17B10GSK3A
SCHEMBL10073849 0.77 NR3C1 (0.36) ALDH1A1KDM4EHPGDHSD17B10GSK3A
SCHEMBL10073639 0.76 MET (0.33) PKMKMT2AALDH1A1HPGDGSK3A
SCHEMBL10073459 0.75 SMN1; SMN2 (0.36) KMT2AALDH1A1NR3C1HTTCYP1A2
SCHEMBL10073652 0.74 ALDH1A1 (0.33) ALDH1A1GSK3AGSK3BMAPTNR3C1
SCHEMBL10073161 0.74 LMNA (0.40) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL10073162 0.74 NR3C1 (0.42) PKMALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10073455 0.74 KMT2A (0.40) PKMKMT2AALDH1A1KDM4EHPGD
SCHEMBL12243475 0.73 MET (0.39) KMT2AGSK3AGSK3BMAPTHTT
SCHEMBL10072893 0.73 ALDH1A1 (0.41) KMT2AALDH1A1KDM4EHPGDHSD17B10

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 UTS2R 4158/4885PKM 685/4885KMT2A 649/4885
US-20120165367-A1 AZAINDAZOLES USEFUL AS INHIBITORS OF KINASES PRKDC, MAP3K20, PRKACA UTS2R 4158/4885PKM 685/4885KMT2A 649/4885

“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.