SCHEMBL985548

SCHEMBL985548

CNc1cc(C(=O)Nc2ccccc2-c2nc3cccnc3s2)nc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
TP53 P04637 3/20 0.53
KDM4E B2RXH2 4/20 0.51
MAPK1 P28482 1/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 2/20 0.48
THRB P10828 3/20 0.47
LMNA P02545 5/20 0.46
GAA P10253 1/20 0.46
AHR P35869 1/20 0.44
PPARG P37231 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44

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
SCHEMBL12923608 0.90 MAPT (0.49) MAPTTP53KDM4EMAPK1POLB
SCHEMBL12949238 0.89 KDM4E (0.58) MAPTTP53KDM4EMAPK1POLB
SCHEMBL985741 0.89 MAPT (0.49) MAPTTP53KDM4EMAPK1POLB
SCHEMBL985742 0.89 MAPT (0.49) MAPTTP53KDM4EMAPK1POLB
SCHEMBL13855621 0.88 MAPT (0.47) MAPTTP53KDM4EMAPK1POLB
SCHEMBL983130 0.88 GAA (0.50) MAPTTP53KDM4EMAPK1POLB
SCHEMBL982847 0.88 KDM4E (0.56) MAPTTP53KDM4EMAPK1POLB
SCHEMBL985252 0.88 MAPT (0.48) MAPTTP53KDM4EMAPK1POLB
SCHEMBL985648 0.88 MAPT (0.48) MAPTTP53KDM4EMAPK1POLB
SCHEMBL981424 0.88 MAPT (0.48) MAPTTP53KDM4EMAPK1POLB

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 MAPT 550/4885TP53 515/4885KDM4E 3193/4885

“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.