SCHEMBL403229

SCHEMBL403229

O=C(Nc1cnoc1-c1ccccc1C(F)(F)F)c1cnn2ccc(Cl)nc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.54
CYP1A2 P05177 2/20 0.54
EPHB3 P54753 4/20 0.48
IRAK4 Q9NWZ3 10/20 0.47
NTRK1 P04629 1/20 0.43
FLT3 P36888 1/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
JAK3 P52333 2/20 0.40
RIPK2 O43353 1/20 0.39
LCK P06239 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
SCHEMBL401483 0.89 JAK2 (0.63) JAK2CYP1A2EPHB3IRAK4NTRK1
SCHEMBL10191569 0.86 JAK2 (0.57) JAK2CYP1A2EPHB3IRAK4JAK1
SCHEMBL407094 0.75 JAK2 (0.69) JAK2CYP1A2EPHB3IRAK4NTRK1
SCHEMBL18049730 0.75 IRAK4 (0.59) JAK2CYP1A2EPHB3IRAK4RIPK2
SCHEMBL22640661 0.73 EPHB3 (0.65) JAK2CYP1A2EPHB3IRAK4NTRK1
SCHEMBL402297 0.72 JAK2 (0.58) JAK2CYP1A2EPHB3IRAK4NTRK1
SCHEMBL403851 0.72 JAK2 (0.63) JAK2CYP1A2EPHB3IRAK4NTRK1
SCHEMBL14897247 0.72 EPHB3 (0.49) JAK2EPHB3IRAK4JAK1TYK2
SCHEMBL14881480 0.72 IRAK4 (0.50) JAK2EPHB3IRAK4JAK1TYK2
SCHEMBL14897677 0.72 TGFBR1 (0.56) JAK2EPHB3IRAK4

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-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

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 1/4885CYP1A2 575/4885EPHB3 2273/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885CYP1A2 575/4885EPHB3 2273/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885CYP1A2 575/4885EPHB3 2273/4885

“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.