SCHEMBL403817

SCHEMBL403817

CN(c1ccn2ncc(C(=O)Nc3cn(C)nc3-c3cccc(Cl)c3)c2n1)C1CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.71
JAK1 P23458 4/20 0.66
CYP3A4 P08684 2/20 0.53
NTRK1 P04629 1/20 0.53
FYN P06241 1/20 0.53
ROS1 P08922 1/20 0.53
NTRK3 Q16288 1/20 0.53
NTRK2 Q16620 1/20 0.53
CYP1A2 P05177 2/20 0.51
TYK2 P29597 2/20 0.51
JAK3 P52333 2/20 0.51
IRAK4 Q9NWZ3 3/20 0.51
LRRK2 Q5S007 1/20 0.50

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
SCHEMBL403862 0.85 JAK2 (0.83) JAK2JAK1CYP3A4NTRK1FYN
SCHEMBL402290 0.83 JAK2 (1.00) JAK2JAK1CYP3A4NTRK1FYN
SCHEMBL403818 0.82 JAK2 (0.70) JAK2JAK1CYP3A4NTRK1FYN
SCHEMBL407067 0.81 JAK2 (0.77) JAK2JAK1CYP3A4NTRK1FYN
SCHEMBL941221 0.80 JAK2 (1.00) JAK2JAK1CYP3A4TYK2JAK3
SCHEMBL405632 0.74 JAK2 (0.82) JAK2JAK1CYP3A4NTRK1FYN
SCHEMBL404932 0.72 JAK2 (0.83) JAK2JAK1CYP3A4NTRK1FYN
SCHEMBL21997192 0.71 SMPD3 (0.43) JAK2NTRK1JAK3IRAK4
SCHEMBL403978 0.71 JAK2 (0.83) JAK2JAK1CYP3A4NTRK1FYN
SCHEMBL942580 0.71 JAK2 (1.00) JAK2JAK1CYP3A4TYK2JAK3

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 JAK2 1/4885JAK1 2/4885CYP3A4 817/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885CYP3A4 817/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885CYP3A4 817/4885

“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.