SCHEMBL403696

SCHEMBL403696

CN(c1cccnc1)c1ccn2ncc(C(=O)NN3CCCCC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.41
IRAK1 P51617 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.39
NTRK1 P04629 4/20 0.38
SYK P43405 1/20 0.38
JAK2 O60674 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TGFBR1 P36897 2/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL402142 0.84 NTRK1 (0.43) IRAK4IRAK1HTTNTRK1SYK
SCHEMBL401999 0.84 NTRK1 (0.51) IRAK4NTRK1JAK2POLBTGFBR1
SCHEMBL404513 0.84 NTRK1 (0.51) IRAK4NTRK1JAK2POLBTGFBR1
SCHEMBL401948 0.84 NTRK1 (0.51) IRAK4NTRK1JAK2POLBTGFBR1
SCHEMBL405971 0.83 NTRK1 (0.51) NTRK1JAK2TGFBR1
SCHEMBL401721 0.83 NTRK1 (0.51) IRAK4NTRK1JAK2POLBTGFBR1
SCHEMBL404760 0.83 NTRK1 (0.55) NTRK1JAK2TGFBR1
SCHEMBL406237 0.83 NTRK1 (0.45) IRAK4KMT2ANTRK1JAK2CNR1
SCHEMBL405447 0.83 NTRK1 (0.45) IRAK4KMT2ANTRK1JAK2CNR1
SCHEMBL404422 0.82 HTT (0.60) MEN1KMT2AHTTNTRK1JAK2

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 IRAK4 9/4885IRAK1 6/4885MEN1 2920/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885IRAK1 6/4885MEN1 2920/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 IRAK4 9/4885IRAK1 6/4885MEN1 2920/4885

“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.