SCHEMBL5744853

SCHEMBL5744853

CCOC(=O)c1cnc(SC)nc1N[C@@H]1CCOC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SYK P43405 2/20 0.53
FOS P01100 1/20 0.53
JUN P05412 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK1 P28482 2/20 0.50
HTT P42858 1/20 0.50
PDE4B Q07343 7/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NR2F2 P24468 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL5744856 1.00 ALDH1A1 (0.55) ALDH1A1SYKFOSJUNNFKB1
SCHEMBL29502000 0.94 ALDH1A1 (0.57) ALDH1A1SYKFOSJUNNFKB1
SCHEMBL4157935 0.94 ALDH1A1 (0.57) ALDH1A1SYKFOSJUNNFKB1
SCHEMBL4405587 0.88 ALDH1A1 (0.63) ALDH1A1SYKFOSJUNNFKB1
SCHEMBL23948142 0.86 ALDH1A1 (0.52) ALDH1A1SYKFOSJUNNFKB1
SCHEMBL29502030 0.86 ALDH1A1 (0.52) ALDH1A1SYKFOSJUNNFKB1
SCHEMBL574167 0.86 ALDH1A1 (0.60) ALDH1A1SYKFOSJUNNFKB1
SCHEMBL22860692 0.86 ALDH1A1 (0.60) ALDH1A1SYKFOSJUNNFKB1
SCHEMBL30498501 0.86 ALDH1A1 (0.60) ALDH1A1SYKFOSJUNNFKB1
SCHEMBL21593672 0.85 PDE4B (0.51) ALDH1A1SYKFOSJUNNFKB1

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-7115740-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US claimed
US-20040204427-A1 Pyrimido compounds having antiproliferative activity CHEN YI (US) 2004-10-14 US claimed
US-7115740-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1615928-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
WO-2004089955-A1 PYRIMIDO COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO disclosed
US-20040204427-A1 Pyrimido compounds having antiproliferative activity CHEN YI (US) 2004-10-14 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 (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-20040204427-A1 Pyrimido compounds having antiproliferative activity FGFR3, FGFR1, FGFR4 ALDH1A1 527/4885SYK 145/4885FOS 2464/4885

“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.