SCHEMBL403281

SCHEMBL403281

O=C(Nc1ccccc1)c1cnn2ccc(NCc3cccc(CN4CCOCC4)c3)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.57
IRAK4 Q9NWZ3 1/20 0.49
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47
FLT3 P36888 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 3/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 2/20 0.45
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
KMT2A Q03164 1/20 0.43
RET P07949 2/20 0.42
TYK2 P29597 2/20 0.42
JAK2 O60674 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
SCHEMBL403925 0.89 NTRK1 (0.53) NTRK1IRAK4FLT3PIM1PIM3
SCHEMBL400895 0.87 NTRK1 (0.57) NTRK1IRAK4FLT3TYK2JAK2
SCHEMBL403280 0.85 NTRK1 (0.70) NTRK1IRAK4FLT3NPC1RAB9A
SCHEMBL405051 0.84 NTRK1 (0.50) NTRK1IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL406018 0.84 PIM1 (0.54) NTRK1IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL405544 0.83 NTRK1 (0.54) NTRK1IRAK4HIF1ANPC1RAB9A
SCHEMBL403243 0.82 NTRK1 (0.68) NTRK1NPC1RAB9ASMN1; SMN2AURKA
SCHEMBL404825 0.82 NTRK1 (0.54) NTRK1IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL16460685 0.82 RAB9A (0.54) NTRK1IRAK4NPC1RAB9ASMN1; SMN2
SCHEMBL405385 0.82 NTRK1 (0.52) NTRK1IRAK4FLT3PIM1PIM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 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 (2 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 NTRK1 2693/4885IRAK4 9/4885HIF1A 2549/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885IRAK4 9/4885HIF1A 2549/4885

“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.