SCHEMBL406474

SCHEMBL406474

CN(C)/C=C(/C(=O)c1cc(Cl)ccc1Cl)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
CYP11B1 P15538 7/20 0.43
CYP11B2 P19099 5/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
EGFR P00533 1/20 0.38
ALK Q9UM73 1/20 0.38
ABCB1 P08183 1/20 0.37
HTT P42858 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
CYP19A1 P11511 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
SCHEMBL10244084 1.00 KDM4E (0.48) KDM4ECYP11B1CYP11B2GLAPOLB
SCHEMBL406475 1.00 KDM4E (0.48) KDM4ECYP11B1CYP11B2GLAPOLB
SCHEMBL5091377 0.91 GLA (0.53) KDM4ECYP11B1CYP11B2GLAPOLB
SCHEMBL5091381 0.91 GLA (0.53) KDM4ECYP11B1CYP11B2GLAPOLB
SCHEMBL10191549 0.82 POLB (0.49) KDM4ECYP11B1CYP11B2POLBALDH1A1
SCHEMBL405488 0.82 POLB (0.49) KDM4ECYP11B1CYP11B2POLBALDH1A1
SCHEMBL405487 0.82 POLB (0.49) KDM4ECYP11B1CYP11B2POLBALDH1A1
SCHEMBL17282254 0.82 CYP11B1 (0.51) KDM4ECYP11B1CYP11B2GLAALDH1A1
SCHEMBL11890416 0.77 LMNA (0.53) ALDH1A1MEN1KMT2ALMNAEGFR
SCHEMBL544739 0.77 LMNA (0.53) ALDH1A1MEN1KMT2ALMNAEGFR

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-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
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 KDM4E 1299/4885CYP11B1 950/4885CYP11B2 918/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KDM4E 1299/4885CYP11B1 950/4885CYP11B2 918/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 KDM4E 1299/4885CYP11B1 950/4885CYP11B2 918/4885

“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.