SCHEMBL406159

SCHEMBL406159

CN(c1cccnc1)c1ccn2ncc(C(=O)Nc3cccc(O)c3)c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.49
NLRP3 Q96P20 1/20 0.45
BRAF P15056 1/20 0.44
CSF1R P07333 1/20 0.43
JAK2 O60674 4/20 0.41
NTRK1 P04629 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
GRM5 P41594 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NAMPT P43490 1/20 0.40
MAPT P10636 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CYP11B2 P19099 1/20 0.39
JAK1 P23458 1/20 0.39

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 0.91 HTT (0.60) NPC1RAB9ASMN1; SMN2HTTBRAF
SCHEMBL401371 0.90 HTT (0.48) NPC1RAB9ASMN1; SMN2HTTNLRP3
SCHEMBL401813 0.90 HTT (0.49) NPC1RAB9ASMN1; SMN2HTTNLRP3
SCHEMBL403236 0.90 HTT (0.53) NPC1RAB9ASMN1; SMN2HTTNLRP3
SCHEMBL405511 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2HTTNLRP3
SCHEMBL401831 0.89 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2HTTNLRP3
SCHEMBL405379 0.85 HTT (0.48) NPC1RAB9ASMN1; SMN2HTTNLRP3
SCHEMBL404915 0.85 HTT (0.48) NPC1RAB9ASMN1; SMN2HTTJAK2
SCHEMBL404511 0.84 HTT (0.47) NPC1RAB9AHTTBRAFKDM4E
SCHEMBL403827 0.84 HTT (0.47) NPC1RAB9ASMN1; SMN2HTTBRAF

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 NPC1 2785/4885RAB9A 869/4885SMN1; SMN2 2551/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 2785/4885RAB9A 869/4885SMN1; SMN2 2551/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NPC1 2785/4885RAB9A 869/4885SMN1; SMN2 2551/4885

“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.