SCHEMBL406311

SCHEMBL406311

COc1cccc(CNc2ccn3ncc(C(=O)Nc4ccccc4)c3n2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.53
FLT3 P36888 1/20 0.47
IRAK4 Q9NWZ3 6/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
NTRK1 P04629 1/20 0.44
FYN P06241 2/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
POLB P06746 1/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
JAK3 P52333 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL404868 0.87 NTRK1 (0.46) HIF1AFLT3IRAK4MAPTLMNA
SCHEMBL405515 0.85 PIM1 (0.45) FLT3IRAK4MAPTLMNANTRK1
SCHEMBL403247 0.85 HIF1A (0.54) HIF1AFLT3IRAK4MAPTLMNA
SCHEMBL403713 0.84 FYN (0.51) FLT3IRAK4LMNANTRK1FYN
SCHEMBL407024 0.83 PIM1 (0.47) HIF1AIRAK4NTRK1PIM1PIM3
SCHEMBL403904 0.83 JAK2 (0.44) FLT3IRAK4NTRK1PIM1PIM3
SCHEMBL401698 0.83 HDAC3 (0.46) FLT3IRAK4NTRK1PIM1PIM3
SCHEMBL406310 0.83 NTRK1 (0.57) FLT3IRAK4NTRK1JAK3
SCHEMBL400574 0.82 NTRK1 (0.50) FLT3IRAK4MAPTNTRK1FYN
SCHEMBL402197 0.82 NTRK1 (0.47) IRAK4NTRK1PIM1PIM3PIM2

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 2549/4885FLT3 16/4885IRAK4 9/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HIF1A 2549/4885FLT3 16/4885IRAK4 9/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HIF1A 2549/4885FLT3 16/4885IRAK4 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.