SCHEMBL403236

SCHEMBL403236

CN(c1cccnc1)c1ccn2ncc(C(=O)Nc3ccccc3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
NAMPT P43490 1/20 0.47
MAPT P10636 2/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
IRAK4 Q9NWZ3 5/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
JAK2 O60674 2/20 0.42
NTRK1 P04629 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
EPHB3 P54753 2/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
NLRP3 Q96P20 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL404422 0.95 HTT (0.60) HTTNAMPTMAPTGSK3AGSK3B
SCHEMBL401813 0.92 HTT (0.49) HTTNAMPTMAPTGSK3AGSK3B
SCHEMBL405379 0.91 HTT (0.48) HTTNAMPTIRAK4NPC1RAB9A
SCHEMBL404915 0.91 HTT (0.48) HTTMAPTIRAK4NPC1RAB9A
SCHEMBL403827 0.90 HTT (0.47) HTTNAMPTMAPTIRAK4NPC1
SCHEMBL406159 0.90 NPC1 (0.57) HTTNAMPTMAPTGSK3AGSK3B
SCHEMBL404511 0.90 HTT (0.47) HTTMAPTIRAK4NPC1RAB9A
SCHEMBL405076 0.90 NPC1 (0.53) HTTMAPTIRAK4NPC1RAB9A
SCHEMBL400081 0.89 STING1 (0.48) HTTNAMPTMAPTIRAK4NPC1
SCHEMBL401371 0.89 HTT (0.48) HTTGSK3AGSK3BIRAK4NPC1

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 4391/4885NAMPT 3785/4885MAPT 4201/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885NAMPT 3785/4885MAPT 4201/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885NAMPT 3785/4885MAPT 4201/4885

“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.