SCHEMBL406809

SCHEMBL406809

CN(c1cccnc1)c1ccn2ncc(C(=O)Nc3ccccn3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
JAK2 O60674 1/20 0.46
NTRK1 P04629 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
IRAK4 Q9NWZ3 8/20 0.43
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
GRM5 P41594 3/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
IRAK1 P51617 1/20 0.41

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
SCHEMBL403236 0.87 HTT (0.53) HTTJAK2NTRK1SMN1; SMN2NPC1
SCHEMBL404422 0.86 HTT (0.60) HTTJAK2NTRK1SMN1; SMN2KDM4E
SCHEMBL405379 0.85 HTT (0.48) HTTJAK2SMN1; SMN2NPC1RAB9A
SCHEMBL401813 0.84 HTT (0.49) HTTJAK2NTRK1SMN1; SMN2NPC1
SCHEMBL405797 0.83 IRAK4 (0.59) IRAK4PIM1IRAK1
SCHEMBL404915 0.83 HTT (0.48) HTTJAK2NTRK1SMN1; SMN2NPC1
SCHEMBL406432 0.83 IRAK4 (0.49) HTTJAK2SMN1; SMN2KDM4EIRAK4
SCHEMBL402142 0.82 NTRK1 (0.43) HTTJAK2NTRK1IRAK4IRAK1
SCHEMBL403801 0.82 SYK (0.56) HTTJAK2NTRK1IRAK4LMNA
SCHEMBL406159 0.81 NPC1 (0.57) HTTJAK2NTRK1SMN1; SMN2KDM4E

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 HTT 4391/4885JAK2 1/4885NTRK1 2693/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885JAK2 1/4885NTRK1 2693/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885JAK2 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.