SCHEMBL400135

SCHEMBL400135

O=C(Nc1ccccc1)c1cnn2ccc(NCc3ccccc3OCCN3CCOCC3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.50
JAK2 O60674 5/20 0.46
NTRK1 P04629 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
FLT3 P36888 1/20 0.44
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
POLB P06746 1/20 0.42
JAK1 P23458 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
EPHX2 P34913 3/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
NR3C1 P04150 1/20 0.40
AURKB Q96GD4 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
SCHEMBL400134 0.86 NTRK1 (0.57) IRAK4JAK2NTRK1JAK1TYK2
SCHEMBL405515 0.83 PIM1 (0.45) IRAK4NTRK1RXFP1FLT3LMNA
SCHEMBL403794 0.83 FLT3 (0.51) IRAK4JAK2NTRK1FLT3JAK1
SCHEMBL403904 0.79 JAK2 (0.44) IRAK4JAK2NTRK1FLT3JAK1
SCHEMBL401698 0.79 HDAC3 (0.46) IRAK4JAK2NTRK1RXFP1FLT3
SCHEMBL403281 0.79 NTRK1 (0.57) IRAK4JAK2NTRK1FLT3JAK1
SCHEMBL407024 0.78 PIM1 (0.47) IRAK4NTRK1
SCHEMBL406311 0.77 HIF1A (0.53) IRAK4NTRK1RXFP1FLT3POLB
SCHEMBL402197 0.77 NTRK1 (0.47) IRAK4JAK2NTRK1JAK1KCNH2
SCHEMBL403981 0.77 KDM4E (0.53) IRAK4JAK2NTRK1KDM4E

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
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
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 IRAK4 9/4885JAK2 1/4885NTRK1 2693/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885JAK2 1/4885NTRK1 2693/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885JAK2 1/4885NTRK1 2693/4885

“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.