SCHEMBL403805

SCHEMBL403805

O=C(Nc1ccccc1)c1cnn2ccc(NCc3cccc4c3OCCCO4)nc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.45
IRAK4 Q9NWZ3 10/20 0.43
NAMPT P43490 1/20 0.42
FLT3 P36888 1/20 0.42
CXCR2 P25025 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
RET P07949 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 1/20 0.40

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
SCHEMBL406350 0.87 NTRK1 (0.46) NTRK1IRAK4ROCK2ROCK1RET
SCHEMBL405024 0.85 NTRK1 (0.47) NTRK1IRAK4ROCK2ROCK1RET
SCHEMBL403806 0.85 NTRK1 (0.57) NTRK1IRAK4
SCHEMBL407024 0.81 PIM1 (0.47) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL403981 0.81 KDM4E (0.53) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL402197 0.81 NTRK1 (0.47) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL401713 0.80 NTRK1 (0.47) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL405801 0.80 IRAK4 (0.50) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL403794 0.80 FLT3 (0.51) NTRK1IRAK4FLT3ALDH1A1MAPT
SCHEMBL406018 0.79 PIM1 (0.54) NTRK1IRAK4PIM1PIM3PIM2

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 NTRK1 2693/4885IRAK4 9/4885NAMPT 3785/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885IRAK4 9/4885NAMPT 3785/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885IRAK4 9/4885NAMPT 3785/4885

“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.