SCHEMBL954873

SCHEMBL954873

CCOc1nc(-c2ccnc(N(CC)C(=O)O)c2)sc1-c1nc[nH]n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.34
DBF4 Q9UBU7 3/20 0.34
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GSK3B P49841 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALOX5 P09917 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NLRP1 Q9C000 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
CYP1A2 P05177 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL16924682 0.82 GSK3B (0.45) GSK3BMAPK1
SCHEMBL6845107 0.79 GSK3B (0.46) CDC7DBF4GSK3B
SCHEMBL952085 0.77 GSK3B (0.41) GSK3BMAPK1
SCHEMBL954441 0.75 ATR (0.32) ALDH1A1GSK3BKDM4EHSD17B10
SCHEMBL3805376 0.73 HRH3 (0.31) CDC7DBF4MEN1KMT2A
SCHEMBL16937960 0.66 MAPK14 (0.51) GSK3BMAPK1
SCHEMBL953912 0.65 MAPK14 (0.42) CDC7DBF4GSK3B
SCHEMBL957459 0.65 GSK3B (0.41) GSK3B
SCHEMBL954690 0.65 RXFP1 (0.42) ALDH1A1GSK3BMAPTRXFP1HSD17B10
SCHEMBL952504 0.64 MAPK14 (0.42) GSK3BKDM4EMAPK1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US 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 (2 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 CDC7 601/4885DBF4 3288/4885RARB 2997/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885RARB 4186/4885

“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.