SCHEMBL982860

SCHEMBL982860

O=C(O)c1cc(CN2CCOCC2)nc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.54
MTOR P42345 1/20 0.49
ADORA2A P29274 1/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 2/20 0.48
CXCR4 P61073 1/20 0.48
SCN9A Q15858 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
PIK3CA P42336 1/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL980760 0.88 P2RY12 (0.52) P2RY12KMT2ACYP2D6CYP2C9HTT
SCHEMBL985861 0.87 P2RY12 (0.57) P2RY12MTORADORA2AKMT2ALMNA
SCHEMBL981752 0.78 HTT (0.74) P2RY12MTORKMT2ALMNACYP3A4
SCHEMBL465725 0.76 CXCR4 (0.69) KMT2ACXCR4CYP2C9HTTMAPT
SCHEMBL31679380 0.76 CXCR4 (0.69) KMT2ACXCR4CYP2C9HTTMAPT
SCHEMBL983739 0.76 P2RY12 (0.54) P2RY12KMT2AHTTMAPTHSD17B10
SCHEMBL31679393 0.75 CXCR4 (0.67) KMT2ACXCR4HTTMAPTTSHR
SCHEMBL29892433 0.75 CXCR4 (0.67) KMT2ACXCR4HTTMAPTTSHR
SCHEMBL22009968 0.75 CXCR4 (0.67) KMT2ACXCR4HTTMAPTTSHR
SCHEMBL20524435 0.74 CXCR4 (0.53) ADORA2AKMT2ACXCR4SCN9AHTT

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 7 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
CN-101910184-A Solubility thiazole and pyridine SIRTRIS PHARMACEUTICALS INC 2010-12-08 CN 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 1151/4885MTOR 755/4885ADORA2A 1464/4885

“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.