SCHEMBL405379

SCHEMBL405379

CN(c1cccnc1)c1ccn2ncc(C(=O)Nc3ccc(Cl)cc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
IRAK4 Q9NWZ3 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NLRP3 Q96P20 1/20 0.44
JAK2 O60674 6/20 0.43
JAK1 P23458 3/20 0.43
TYK2 P29597 3/20 0.43
NAMPT P43490 1/20 0.43
CYP11B2 P19099 1/20 0.43
NR3C1 P04150 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
CSF1R P07333 1/20 0.42

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
SCHEMBL401813 0.91 HTT (0.49) HTTSMN1; SMN2IRAK4NPC1RAB9A
SCHEMBL403236 0.91 HTT (0.53) HTTSMN1; SMN2IRAK4NPC1RAB9A
SCHEMBL404915 0.91 HTT (0.48) HTTSMN1; SMN2IRAK4NPC1RAB9A
SCHEMBL404422 0.90 HTT (0.60) HTTSMN1; SMN2NPC1RAB9AJAK2
SCHEMBL404511 0.89 HTT (0.47) HTTIRAK4NPC1RAB9AMEN1
SCHEMBL403827 0.89 HTT (0.47) HTTSMN1; SMN2IRAK4NPC1RAB9A
SCHEMBL405076 0.89 NPC1 (0.53) HTTSMN1; SMN2IRAK4NPC1RAB9A
SCHEMBL400081 0.88 STING1 (0.48) HTTSMN1; SMN2IRAK4NPC1RAB9A
SCHEMBL406159 0.85 NPC1 (0.57) HTTSMN1; SMN2IRAK4NPC1RAB9A
SCHEMBL402074 0.85 NAMPT (0.46) HTTIRAK4JAK2NAMPTNR3C1

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 4391/4885SMN1; SMN2 2551/4885IRAK4 9/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885SMN1; SMN2 2551/4885IRAK4 9/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 HTT 4391/4885SMN1; SMN2 2551/4885IRAK4 9/4885

“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.