SCHEMBL403794

SCHEMBL403794

O=C(Nc1ccccc1)c1cnn2ccc(NCc3ccccc3N3CCOCC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.51
NTRK1 P04629 1/20 0.47
IRAK4 Q9NWZ3 5/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
PTPN11 Q06124 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HIF1A Q16665 1/20 0.43
BRD4 O60885 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHB3 P54753 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
SCHEMBL405119 0.90 IRAK4 (0.46) IRAK4BRD4BRD9ALDH1A1
SCHEMBL400896 0.87 NTRK1 (0.47) FLT3NTRK1IRAK4JAK2JAK1
SCHEMBL403793 0.85 NTRK1 (0.59) FLT3NTRK1IRAK4JAK2JAK1
SCHEMBL405188 0.83 PIM1 (0.45) NTRK1IRAK4KDM4EMAPTALDH1A1
SCHEMBL400135 0.83 IRAK4 (0.50) FLT3NTRK1IRAK4JAK2JAK1
SCHEMBL407024 0.82 PIM1 (0.47) NTRK1IRAK4HIF1A
SCHEMBL402197 0.81 NTRK1 (0.47) NTRK1IRAK4JAK2JAK1TYK2
SCHEMBL403981 0.81 KDM4E (0.53) NTRK1IRAK4JAK2KDM4EEPHB3
SCHEMBL403281 0.80 NTRK1 (0.57) FLT3NTRK1IRAK4JAK2JAK1
SCHEMBL403805 0.80 NTRK1 (0.45) FLT3NTRK1IRAK4MAPTALDH1A1

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 5 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
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 (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 FLT3 16/4885NTRK1 2693/4885IRAK4 9/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 FLT3 16/4885NTRK1 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.