SCHEMBL17035229

SCHEMBL17035229

Cc1c(N)c(=O)n(-c2ccccc2)n1CCO

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.64
PTGS2 P35354 1/20 0.64
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 3/20 0.46
ADORA3 P0DMS8 1/20 0.46
POLB P06746 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
THRB P10828 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ABCB1 P08183 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL17035227 0.88 BCHE (0.64) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL23400266 0.85 PTGS2 (0.60) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL9514526 0.84 BCHE (0.63) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL6260403 0.84 BCHE (0.63) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL23400437 0.83 BCHE (0.58) BCHEPTGS2LMNAADORA3POLB
SCHEMBL9413452 0.81 BCHE (0.59) BCHEPTGS2ALOX15ALDH1A1LMNA
Ampyrone SCHEMBL11674586 0.78 BCHE (1.00) BCHEPTGS2ALOX15ALDH1A1LMNA
Ampyrone SCHEMBL18159502 0.78 BCHE (1.00) BCHEPTGS2ALOX15ALDH1A1LMNA
Ampyrone SCHEMBL128544 0.78 BCHE (1.00) BCHEPTGS2ALOX15ALDH1A1LMNA
SCHEMBL3695114 0.78 BCHE (0.73) BCHEPTGS2ALOX15ALDH1A1LMNA

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 BCHE 4205/4885PTGS2 3518/4885ALOX15 4748/4885

“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.