SCHEMBL7941192

SCHEMBL7941192

CSCCOc1cnc(C(=O)O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.44
BACE1 P56817 1/20 0.42
PCSK9 Q8NBP7 1/20 0.36
KDM4E B2RXH2 4/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 1/20 0.35
HCAR2 Q8TDS4 3/20 0.34
NAPRT Q6XQN6 1/20 0.34
P4HTM Q9NXG6 5/20 0.33
ALDH1A1 P00352 2/20 0.33
P4HA1 P13674 1/20 0.33
MIF P14174 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL10328670 0.81 SIRT6 (0.47) SIRT6BACE1KDM4EMAPTL3MBTL1
SCHEMBL1935667 0.80 SIRT6 (0.50) SIRT6BACE1KDM4EMAPTL3MBTL1
SCHEMBL2108443 0.78 SIRT6 (0.43) SIRT6BACE1KDM4EMAPTL3MBTL1
SCHEMBL991588 0.78 MAPT (0.56) SIRT6KDM4EMAPTL3MBTL1MAPK1
SCHEMBL6819314 0.77 TSHR (0.47) SIRT6KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL17496554 0.77 SIRT6 (0.42) SIRT6BACE1KDM4EMAPTL3MBTL1
SCHEMBL4077855 0.74 BACE1 (0.41) SIRT6BACE1KDM4EMAPTL3MBTL1
SCHEMBL841915 0.74 EPHX2 (0.46) SIRT6BACE1L3MBTL1
SCHEMBL991368 0.74 SIRT6 (0.46) SIRT6BACE1KDM4EMAPTL3MBTL1
SCHEMBL31379016 0.74 SIRT6 (0.46) SIRT6BACE1KDM4EMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658657-B2 2014-02-25 US disclosed
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 SIRT6 2091/4885BACE1 1/4885PCSK9 161/4885

“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.