SCHEMBL402065

SCHEMBL402065

COc1ccnc(Nc2ccn3ncc(C(=O)Nc4ccccc4)c3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.52
PIM1 P11309 2/20 0.52
IRAK4 Q9NWZ3 6/20 0.51
THRB P10828 1/20 0.46
EPHB3 P54753 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
STING1 Q86WV6 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GSK3A P49840 2/20 0.44
NLRP3 Q96P20 1/20 0.44
LMNA P02545 1/20 0.44
DAPK3 O43293 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
SCHEMBL15428765 0.88 FYN (0.44) IRAK4EPHB3GSK3ALMNA
SCHEMBL404687 0.84 HTT (0.53) PIM1IRAK4JAK2JAK1TYK2
SCHEMBL401962 0.83 JAK2 (0.60) IRAK4EPHB3JAK2JAK1TYK2
SCHEMBL402227 0.81 JAK2 (0.53) PIM1IRAK4JAK2JAK1TYK2
SCHEMBL405062 0.81 IRAK4 (0.58) PIM1IRAK4MEN1MAPTKMT2A
SCHEMBL402064 0.81 IRAK4 (0.49) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL406564 0.80 NTRK1 (0.55) MAPK13PIM1IRAK4THRBEPHB3
SCHEMBL405036 0.79 HIF1A (0.51) MAPK13PIM1IRAK4THRBEPHB3
SCHEMBL402454 0.79 JAK2 (0.54) IRAK4MEN1KMT2AJAK2JAK1
SCHEMBL403247 0.78 HIF1A (0.54) MAPK13PIM1IRAK4THRBEPHB3

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 MAPK13 163/4885PIM1 181/4885IRAK4 9/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPK13 163/4885PIM1 181/4885IRAK4 9/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 MAPK13 163/4885PIM1 181/4885IRAK4 9/4885

“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.