SCHEMBL405830

SCHEMBL405830

O=C(Nc1ccccc1)c1cnn2ccc(Nc3cccc(C(F)(F)F)n3)nc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.54
JAK1 P23458 1/20 0.54
TYK2 P29597 1/20 0.54
JAK3 P52333 1/20 0.54
TAS2R14 Q9NYV8 1/20 0.50
IRAK4 Q9NWZ3 12/20 0.47
TGFBR1 P36897 3/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NLRP3 Q96P20 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL405943 0.90 HTT (0.56) JAK2JAK1TYK2JAK3TAS2R14
SCHEMBL400999 0.88 TAS2R14 (0.60) JAK2JAK1TYK2JAK3TAS2R14
SCHEMBL10191600 0.88 TGFBR1 (0.51) JAK2JAK1TYK2JAK3TAS2R14
SCHEMBL402227 0.85 JAK2 (0.53) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL402374 0.84 TGFBR1 (0.49) JAK2JAK1TYK2JAK3TAS2R14
SCHEMBL402160 0.84 JAK2 (0.51) JAK2JAK1TYK2JAK3TAS2R14
SCHEMBL402454 0.84 JAK2 (0.54) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL405540 0.84 JAK2 (0.50) JAK2JAK1TYK2JAK3TAS2R14
SCHEMBL404687 0.83 HTT (0.53) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL402252 0.83 JAK2 (0.58) JAK2JAK1TYK2JAK3IRAK4

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 6 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

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.