SCHEMBL402830

SCHEMBL402830

CCOC(=O)C(=CN(C)C)C(=O)c1cc(Cl)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MAPT P10636 1/20 0.43
CYP11B1 P15538 5/20 0.42
CYP11B2 P19099 5/20 0.42
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DHODH Q02127 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL402829 1.00 GAA (0.43) GAAMAPTCYP11B1CYP11B2NPSR1
SCHEMBL13885870 0.87 POLB (0.52) GAAMAPTCYP11B1CYP11B2NPSR1
SCHEMBL10513808 0.87 POLB (0.52) GAAMAPTCYP11B1CYP11B2NPSR1
SCHEMBL931806 0.86 CYP11B1 (0.59) GAAMAPTCYP11B1CYP11B2NPSR1
SCHEMBL931804 0.86 CYP11B1 (0.59) GAAMAPTCYP11B1CYP11B2NPSR1
SCHEMBL3412170 0.82 CYP11B1 (0.54) GAAMAPTCYP11B1CYP11B2NPSR1
SCHEMBL3565354 0.82 CYP11B1 (0.54) GAAMAPTCYP11B1CYP11B2NPSR1
SCHEMBL3412173 0.82 CYP11B1 (0.54) GAAMAPTCYP11B1CYP11B2NPSR1
SCHEMBL929277 0.82 CYP11B1 (0.44) GAAMAPTCYP11B1CYP11B2NPSR1
SCHEMBL929276 0.82 CYP11B1 (0.44) GAAMAPTCYP11B1CYP11B2NPSR1

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
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US disclosed
CN-102271515-A Pyrazolopyrimidine JAK inhibitor compounds and methods 2011-12-07 CN disclosed
EP-2348860-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2011-08-03 EP disclosed
WO-2010051549-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-05-06 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 (3 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 GAA 3273/4885MAPT 4201/4885CYP11B1 950/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 GAA 3273/4885MAPT 4201/4885CYP11B1 950/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 GAA 3273/4885MAPT 4201/4885CYP11B1 950/4885

“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.