SCHEMBL14320783

SCHEMBL14320783

COc1ccc(Cn2ncc3nc(-c4ccccc4)nc(Cl)c32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.52
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
MCHR1 Q99705 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 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
SCHEMBL4101021 0.83 NPBWR1 (0.50) NPBWR1ALDH1A1GRIN1GRIN2BMCHR1
SCHEMBL10195530 0.81 NPBWR1 (0.51) NPBWR1ALDH1A1MCHR1
SCHEMBL14320356 0.76 NPC1 (0.54) NPBWR1ALDH1A1HPGDNPC1RAB9A
SCHEMBL13734641 0.74 ADORA3 (0.58) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL17025310 0.74 NPBWR1 (0.49) NPBWR1ALDH1A1GRIN1GRIN2BMCHR1
SCHEMBL30097268 0.73 LMNA (0.46) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL27409409 0.73 LMNA (0.46) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL1558301 0.72 PIK3CD (0.53) NPBWR1GRIN1GRIN2BCYP11B1CYP11B2
SCHEMBL4109782 0.72 NPBWR1 (0.46) NPBWR1ALDH1A1GRIN1GRIN2BSMN1; SMN2
SCHEMBL11936663 0.70 MEN1 (0.44) NPBWR1ALDH1A1HPGDGRIN1GRIN2B

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-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
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO 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 NPBWR1 2613/4885ALDH1A1 3674/4885HPGD 3245/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK NPBWR1 2101/4885ALDH1A1 4333/4885HPGD 4082/4885

“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.