SCHEMBL983739

SCHEMBL983739

COC(=O)c1cc(CN2CCCC2)nc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.54
MAPT P10636 1/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
HTR2C P28335 2/20 0.44
MCHR1 Q99705 2/20 0.44
KMT2A Q03164 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL985861 0.90 P2RY12 (0.57) P2RY12ALDH1A1KDM4EKMT2A
SCHEMBL980760 0.86 P2RY12 (0.52) P2RY12MAPTALDH1A1KDM4EHPGD
SCHEMBL2588413 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL984175 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL2584036 0.80 ALDH1A1 (0.43) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4960971 0.77 P2RY12 (0.51) P2RY12ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6395632 0.76 MAPT (0.57) P2RY12MAPTALDH1A1KDM4EHPGD
SCHEMBL465875 0.76 BCHE (0.53) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4960361 0.76 P2RY12 (0.48) P2RY12ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL982860 0.76 P2RY12 (0.54) P2RY12MAPTALDH1A1HSD17B10POLB

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 P2RY12 1151/4885MAPT 550/4885ALDH1A1 778/4885

“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.