SCHEMBL402156

SCHEMBL402156

CCOC(=O)/C(=C/N(C)C)C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
EPHX2 P34913 2/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
DHODH Q02127 1/20 0.39
PLIN1 O60240 1/20 0.39
POLB P06746 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 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
SCHEMBL402157 1.00 MEN1 (0.44) MEN1KMT2ANPSR1CYP11B1CYP11B2
SCHEMBL8745973 0.84 LMNA (0.41) CYP11B1CYP11B2KCNK3KCNK9GAA
SCHEMBL5837400 0.83 TSHR (0.49) MEN1KMT2ANPSR1EPHX2KCNK3
SCHEMBL29398562 0.83 CYP11B1 (0.50) MEN1KMT2ANPSR1CYP11B1CYP11B2
SCHEMBL2953731 0.83 CYP11B1 (0.50) MEN1KMT2ANPSR1CYP11B1CYP11B2
SCHEMBL6016300 0.83 CYP11B1 (0.50) MEN1KMT2ANPSR1CYP11B1CYP11B2
SCHEMBL2953727 0.83 CYP11B1 (0.50) MEN1KMT2ANPSR1CYP11B1CYP11B2
SCHEMBL2307646 0.82 LMNA (0.44) CYP11B1CYP11B2KCNK3KCNK9GAA
SCHEMBL2307648 0.82 LMNA (0.44) CYP11B1CYP11B2KCNK3KCNK9GAA
SCHEMBL3570354 0.82 KMT2A (0.50) MEN1KMT2ANPSR1CYP11B1CYP11B2

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 11 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
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
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US 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
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 MEN1 2920/4885KMT2A 1030/4885NPSR1 3879/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MEN1 2920/4885KMT2A 1030/4885NPSR1 3879/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MEN1 2920/4885KMT2A 1030/4885NPSR1 3879/4885

“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.