SCHEMBL403247

SCHEMBL403247

COc1ccc(OC)c(CNc2ccn3ncc(C(=O)Nc4ccccc4)c3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.54
IRAK4 Q9NWZ3 10/20 0.49
SGMS2 Q8NHU3 1/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FLT3 P36888 1/20 0.45
LMNA P02545 1/20 0.44
NTRK1 P04629 1/20 0.44
THRB P10828 1/20 0.44
EPHB3 P54753 1/20 0.44
MAPK13 O15264 2/20 0.43
PIM1 P11309 2/20 0.43
DAPK3 O43293 1/20 0.43
AKT1 P31749 1/20 0.43
MAPK9 P45984 1/20 0.43
GSK3A P49840 1/20 0.43
NEK2 P51955 1/20 0.43
PIM3 Q86V86 1/20 0.43
PLK3 Q9H4B4 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
SCHEMBL405929 0.86 PDE2A (0.49) HIF1AIRAK4MAPTSMN1; SMN2FLT3
SCHEMBL403713 0.86 FYN (0.51) IRAK4SMN1; SMN2FLT3LMNANTRK1
SCHEMBL406564 0.86 NTRK1 (0.55) HIF1AIRAK4MAPTSMN1; SMN2NTRK1
SCHEMBL405036 0.85 HIF1A (0.51) HIF1AIRAK4FLT3NTRK1THRB
SCHEMBL406311 0.85 HIF1A (0.53) HIF1AIRAK4MAPTFLT3LMNA
SCHEMBL400574 0.83 NTRK1 (0.50) IRAK4MAPTFLT3NTRK1PIM1
SCHEMBL403246 0.82 NTRK1 (0.55) IRAK4FLT3NTRK1AKT1
SCHEMBL405515 0.81 PIM1 (0.45) IRAK4MAPTFLT3LMNANTRK1
SCHEMBL407024 0.80 PIM1 (0.47) HIF1AIRAK4SMN1; SMN2NTRK1PIM1
SCHEMBL406543 0.80 NTRK1 (0.51) IRAK4SMN1; SMN2NTRK1PIM1PIM3

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 HIF1A 2549/4885IRAK4 9/4885SGMS2 4666/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HIF1A 2549/4885IRAK4 9/4885SGMS2 4666/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HIF1A 2549/4885IRAK4 9/4885SGMS2 4666/4885

“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.