SCHEMBL17034698

SCHEMBL17034698

COC(C)c1cc(=O)n(-c2ccccc2)n1C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.56
LMNA P02545 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 1/20 0.38
PTGS2 P35354 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL9770216 0.83 NAPRT (0.62) NAPRTLMNAADORA3ALDH1A1KDM4E
Antipyrine SCHEMBL20452 0.72 NAPRT (1.00) NAPRTLMNAADORA3L3MBTL1ALDH1A1
SCHEMBL17034696 0.71 BCHE (0.56) LMNAADORA3GAAL3MBTL1ALDH1A1
SCHEMBL17034695 0.71 BCHE (0.56) LMNAADORA3GAAL3MBTL1ALDH1A1
SCHEMBL17034703 0.71 BCHE (0.56) LMNAADORA3GAAL3MBTL1ALDH1A1
SCHEMBL7842787 0.70 NAPRT (0.65) NAPRTLMNAADORA3GAAALDH1A1
Antipyrine SCHEMBL8995343 0.70 NAPRT (0.96) NAPRTLMNAADORA3L3MBTL1ALDH1A1
Antipyrine SCHEMBL18260589 0.70 NAPRT (0.96) NAPRTLMNAADORA3ALDH1A1KDM4E
Antipyrine SCHEMBL8736656 0.70 NAPRT (0.96) NAPRTLMNAADORA3L3MBTL1ALDH1A1
Antipyrine SCHEMBL28445203 0.70 NAPRT (0.96) NAPRTLMNAADORA3ALDH1A1KDM4E

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-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
EP-3109239-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-12-28 EP disclosed
WO-2015125786-A1 AMINOPYRAZOLONE DERIVATIVE 第一三共株式会社 2015-08-27 WO 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-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL NAPRT 3425/4885LMNA 4165/4885ADORA3 505/4885

“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.