SCHEMBL987017

SCHEMBL987017

COC(=O)c1cc(N2CCOCC2)nc(-c2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
MAPT P10636 4/20 0.61
NPSR1 Q6W5P4 2/20 0.61
MAPK1 P28482 2/20 0.61
TSHR P16473 2/20 0.61
HSD17B10 Q99714 2/20 0.61
PIK3CA P42336 2/20 0.56
PIK3CB P42338 1/20 0.56
MTOR P42345 2/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 5/20 0.55
CYP2C9 P11712 5/20 0.55
CYP2C19 P33261 5/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 3/20 0.55
P2RY12 Q9H244 1/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL27451576 0.87 KDM4E (0.58) HTTMAPTMAPK1TSHRHSD17B10
SCHEMBL981752 0.86 HTT (0.74) HTTMAPTNPSR1MAPK1TSHR
SCHEMBL6395632 0.86 MAPT (0.57) HTTMAPTMAPK1TSHRHSD17B10
SCHEMBL985848 0.81 P2RY12 (0.57) HTTMAPTNPSR1MAPK1TSHR
SCHEMBL985861 0.81 P2RY12 (0.57) MAPK1PIK3CAPIK3CBMTORKMT2A
SCHEMBL593003 0.80 PIK3CB (0.48) MAPTMAPK1PIK3CAPIK3CBKMT2A
SCHEMBL1206573 0.79 HTT (0.55) HTTMAPTNPSR1MAPK1TSHR
SCHEMBL5218939 0.78 PIK3CB (0.53) MAPK1TSHRPIK3CAPIK3CBKMT2A
SCHEMBL2533706 0.77 MTOR (0.47) MAPK1PIK3CAMTORALDH1A1KDM4E
SCHEMBL2531267 0.77 PIK3CA (0.54) HTTMAPK1HSD17B10PIK3CAMTOR

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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 HTT 287/4885MAPT 550/4885NPSR1 3064/4885

“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.