SCHEMBL405036

SCHEMBL405036

COc1cc(CNc2ccn3ncc(C(=O)Nc4ccccc4)c3n2)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.51
NTRK1 P04629 3/20 0.50
IRAK4 Q9NWZ3 6/20 0.47
RET P07949 2/20 0.47
PIM1 P11309 2/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
THRB P10828 1/20 0.44
EPHB3 P54753 1/20 0.44
FYN P06241 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK13 O15264 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GSK3A P49840 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
SCHEMBL406564 0.93 NTRK1 (0.55) HIF1ANTRK1IRAK4RETPIM1
SCHEMBL403713 0.88 FYN (0.51) NTRK1IRAK4RETFYNFLT3
SCHEMBL406018 0.87 PIM1 (0.54) NTRK1IRAK4RETPIM1PIM3
SCHEMBL400574 0.86 NTRK1 (0.50) NTRK1IRAK4RETPIM1PIM3
SCHEMBL403247 0.85 HIF1A (0.54) HIF1ANTRK1IRAK4PIM1PIM3
SCHEMBL404803 0.85 NTRK1 (0.49) NTRK1IRAK4RETPIM1PIM3
SCHEMBL406047 0.85 NTRK1 (0.57) NTRK1IRAK4RETPIM1PIM3
SCHEMBL403483 0.84 RET (0.50) NTRK1IRAK4RETPIM1PIM3
SCHEMBL405544 0.83 NTRK1 (0.54) HIF1ANTRK1IRAK4RETPIM1
SCHEMBL404512 0.83 FYN (0.57) NTRK1IRAK4RETPIM1PIM3

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 2549/4885NTRK1 2693/4885IRAK4 9/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HIF1A 2549/4885NTRK1 2693/4885IRAK4 9/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HIF1A 2549/4885NTRK1 2693/4885IRAK4 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.