SCHEMBL14320356

SCHEMBL14320356

COc1ccc(Cn2ncc3nc(-c4ccccc4)[nH]c(=O)c32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
GUSB P08236 2/20 0.54
TNKS O95271 1/20 0.54
PARP1 P09874 1/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TNKS2 Q9H2K2 1/20 0.54
EGLN1 Q9GZT9 1/20 0.52
NPBWR1 P48145 4/20 0.52
HPGD P15428 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADORA3 P0DMS8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL28499632 0.89 TNKS (0.46) NPC1RAB9AGUSBTNKSPARP1
SCHEMBL28501289 0.83 UCHL1 (0.47) NPC1RAB9AGUSBTNKSPARP1
SCHEMBL28511274 0.82 PKM (0.50) NPC1RAB9AEGLN1NPBWR1HPGD
SCHEMBL14320783 0.76 NPBWR1 (0.52) NPC1RAB9AEGLN1NPBWR1HPGD
SCHEMBL14321010 0.76 ADORA3 (0.79) NPC1RAB9AGUSBTNKSPARP1
SCHEMBL7985702 0.76 HPGD (0.50) NPC1RAB9AGUSBTNKSPARP1
SCHEMBL28493868 0.76 TNKS (0.54) NPC1RAB9AGUSBTNKSPARP1
SCHEMBL14320661 0.75 NPBWR1 (0.50) NPC1RAB9ANPBWR1HPGDKDM4E
SCHEMBL27409407 0.73 TNKS (0.54) NPC1RAB9AGUSBTNKSPARP1
SCHEMBL27409385 0.72 EGLN1 (0.50) EGLN1ALDH1A1MAPTHTTTSHR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 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 (2 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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK NPC1 4727/4885RAB9A 944/4885GUSB 4421/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK NPC1 4398/4885RAB9A 872/4885GUSB 3691/4885

“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.