SCHEMBL403851

SCHEMBL403851

Nc1ccn2ncc(C(=O)Nc3conc3-c3ccccc3C(F)(F)F)c2n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.63
JAK1 P23458 6/20 0.63
TYK2 P29597 6/20 0.63
JAK3 P52333 6/20 0.63
CYP1A2 P05177 3/20 0.63
EPHB3 P54753 1/20 0.50
IRAK4 Q9NWZ3 5/20 0.49
CYP3A4 P08684 2/20 0.46
NTRK1 P04629 1/20 0.46
FYN P06241 1/20 0.46
ROS1 P08922 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46

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
SCHEMBL405744 0.86 JAK2 (0.71) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL22640661 0.85 EPHB3 (0.65) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL401483 0.83 JAK2 (0.63) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL403128 0.78 JAK2 (1.00) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL22640614 0.76 IRAK4 (0.65) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL405944 0.76 JAK2 (0.65) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL402297 0.75 JAK2 (0.58) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL22640690 0.74 IRAK4 (0.65) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL22640619 0.74 JAK2 (0.60) JAK2JAK1TYK2JAK3CYP1A2
SCHEMBL22640727 0.73 EPHB3 (0.62) JAK2JAK1TYK2JAK3CYP1A2

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
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US 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-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-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
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 US 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 2/4885TYK2 18/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 18/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 18/4885

“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.