SCHEMBL402454

SCHEMBL402454

Cc1cccc(Nc2ccn3ncc(C(=O)Nc4ccccc4)c3n2)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.54
TYK2 P29597 3/20 0.54
JAK1 P23458 2/20 0.54
JAK3 P52333 2/20 0.54
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GBA1 P04062 1/20 0.49
IRAK4 Q9NWZ3 6/20 0.48
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TGFBR1 P36897 1/20 0.45
NLRP3 Q96P20 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL402227 0.87 JAK2 (0.53) JAK2TYK2JAK1JAK3NPC1
SCHEMBL404687 0.86 HTT (0.53) JAK2TYK2JAK1JAK3NPC1
SCHEMBL405830 0.84 JAK2 (0.54) JAK2TYK2JAK1JAK3NPC1
SCHEMBL405250 0.81 IRAK4 (0.50) JAK2TYK2JAK1JAK3NPC1
SCHEMBL405062 0.81 IRAK4 (0.58) JAK2TYK2JAK1JAK3KMT2A
SCHEMBL402453 0.79 TGFBR1 (0.56) JAK2TYK2JAK1JAK3IRAK4
SCHEMBL406248 0.79 JAK2 (0.57) JAK2TYK2JAK1JAK3IRAK4
SCHEMBL400997 0.79 IRAK4 (0.47) NPC1RAB9AKMT2AMEN1IRAK4
SCHEMBL402065 0.79 MAPK13 (0.52) JAK2TYK2JAK1JAK3NPC1
SCHEMBL16460557 0.78 IRAK4 (0.52) JAK2TYK2JAK1JAK3NPC1

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 1/4885TYK2 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.