SCHEMBL9988787

SCHEMBL9988787

COc1ccc(NCCCC#N)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.81
ALDH1A1 P00352 4/20 0.81
MAPT P10636 6/20 0.63
PPARG P37231 1/20 0.50
APP P05067 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 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
SCHEMBL6838994 0.89 GAA (1.00) GAAALDH1A1MAPTPPARGAPP
SCHEMBL5551251 0.80 MAPT (0.59) GAAALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL13185886 0.80 GAA (0.70) GAAALDH1A1MAPTAPPNPC1
SCHEMBL1030950 0.79 GAA (1.00) GAAALDH1A1MAPTPPARGAPP
SCHEMBL2097210 0.78 GAA (0.73) GAAALDH1A1MAPTPPARGAPP
SCHEMBL2194076 0.78 GAA (0.50) GAAALDH1A1MAPTRAB9AKDM4E
SCHEMBL9173967 0.78 GAA (0.50) GAAALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL1844181 0.77 GAA (0.49) GAAALDH1A1MAPTNPC1RAB9A
SCHEMBL11331749 0.77 GAA (0.70) GAAALDH1A1MAPTPPARGAPP
SCHEMBL11112945 0.77 GAA (0.70) GAAALDH1A1MAPTPPARGAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383631-B2 1,6-disubstituted-3-amino-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridin-7-one compounds and preparation thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-26 US disclosed
US-20110319619-A1 NOVEL 1,6-DISUBSTITUTED-3-AMINO-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE COMPOUNDS AND PREPARATION THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-12-29 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 (1 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-20110319619-A1 NOVEL 1,6-DISUBSTITUTED-3-AMINO-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE COMPOUNDS AND PREPARATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, THPO, PLEC GAA 3505/4885ALDH1A1 2076/4885MAPT 1257/4885

“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.