SCHEMBL407094

SCHEMBL407094

Cc1ccccc1-c1oncc1NC(=O)c1cnn2ccc(N)nc12

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.69
TYK2 P29597 8/20 0.66
JAK1 P23458 7/20 0.66
JAK3 P52333 7/20 0.66
CYP1A2 P05177 3/20 0.66
CYP3A4 P08684 2/20 0.49
NTRK1 P04629 1/20 0.49
FYN P06241 1/20 0.49
ROS1 P08922 1/20 0.49
NTRK3 Q16288 1/20 0.49
NTRK2 Q16620 1/20 0.49
CSF1R P07333 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
EPHB3 P54753 1/20 0.43

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
SCHEMBL10191569 0.89 JAK2 (0.57) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL401483 0.86 JAK2 (0.63) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL405744 0.84 JAK2 (0.71) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL402529 0.82 JAK2 (1.00) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL406975 0.80 JAK2 (1.00) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL405879 0.79 JAK2 (1.00) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL22640619 0.77 JAK2 (0.60) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL22640727 0.76 EPHB3 (0.62) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL22640642 0.76 IRAK4 (0.61) JAK2TYK2JAK1JAK3CYP1A2
SCHEMBL403229 0.75 JAK2 (0.54) JAK2TYK2JAK1JAK3CYP1A2

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 1/4885TYK2 18/4885JAK1 2/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885TYK2 18/4885JAK1 2/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885TYK2 18/4885JAK1 2/4885

“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.