SCHEMBL2215634

SCHEMBL2215634

COC(=O)c1c(C)cnn1C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
PDE1C Q14123 2/20 0.39
HTT P42858 2/20 0.38
ATM Q13315 1/20 0.38
AHR P35869 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2521960 0.81 KMT2A (0.48) KDM4EALDH1A1GAACYP1A2CYP2C19
SCHEMBL31719625 0.81 CNR2 (0.47) CNR2KDM4EALDH1A1GAACYP1A2
SCHEMBL28965242 0.81 CYP1A2 (0.50) CNR2KDM4EALDH1A1GAACYP1A2
SCHEMBL1876572 0.79 CNR2 (0.46) CNR2KDM4EALDH1A1GAACYP1A2
SCHEMBL4813243 0.79 CYP1A2 (0.59) CNR2ALDH1A1GAACYP1A2CYP2C19
SCHEMBL24485098 0.79 ALDH1A1 (0.56) CNR2KDM4EALDH1A1GAACYP1A2
SCHEMBL17164058 0.79 MAPK1 (0.37) CNR2KDM4EALDH1A1GAAKMT2A
SCHEMBL24485756 0.79 CNR2 (0.46) CNR2KDM4EALDH1A1GAACYP1A2
SCHEMBL16177237 0.79 CNR2 (0.46) CNR2KDM4EALDH1A1GAACYP1A2
SCHEMBL2212203 0.78 L3MBTL1 (0.39) KDM4EALDH1A1KMT2AMEN1HTT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963037-A1 NOVEL PYRAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2016-01-06 EP disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
US-8658635-B2 Benzpyrazol derivatives as inhibitors of PI3 kinases GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-02-25 US disclosed
EP-2300437-B1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LTD (GB) 2013-11-20 EP disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 US disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 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 (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-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA CNR2 4302/4885KDM4E 2484/4885ALDH1A1 1833/4885

“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.