SCHEMBL3127909

SCHEMBL3127909

CCOC(=O)c1cnc(SC)nc1NC[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
SYK P43405 2/20 0.59
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
LMNA P02545 1/20 0.56
FOS P01100 1/20 0.56
JUN P05412 1/20 0.56
MAPK1 P28482 2/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HPGD P15428 2/20 0.47

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
SCHEMBL2941673 1.00 ALDH1A1 (0.68) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL29508917 0.92 ALDH1A1 (0.69) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL28734766 0.92 ALDH1A1 (0.69) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL18459592 0.88 ALDH1A1 (0.68) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL1521580 0.86 ALDH1A1 (0.76) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL20891985 0.84 ALDH1A1 (0.63) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL1521611 0.84 ALDH1A1 (0.65) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL30873265 0.84 ALDH1A1 (0.65) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL2019145 0.84 ALDH1A1 (0.80) ALDH1A1SYKMAPTSMN1; SMN2NFKB1
SCHEMBL1521842 0.82 ALDH1A1 (0.70) ALDH1A1SYKMAPTSMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750016-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2010-07-06 US disclosed
US-7750016-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2010-07-06 US disclosed
US-7750016-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2010-07-06 US disclosed
US-20080119497-A1 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC 2008-05-22 US disclosed
US-20080119497-A1 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC 2008-05-22 US disclosed
US-20080119497-A1 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC 2008-05-22 US disclosed
US-7348331-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-7348331-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-7348331-B2 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
EP-1685131-B1 HYDROXYALKYL SUBSTITUTED PYRIDO-7-PYRIMIDIN-7-ONES HOFFMANN LA ROCHE (CH) 2007-03-07 EP disclosed
EP-1685131-A1 HYDROXYALKYL SUBSTITUTED PYRIDO-7-PYRIMIDIN-7-ONES F. Hoffmann-La Roche AG (CH) 2006-08-02 EP disclosed
WO-2005047284-A1 HYDROXYALKYL SUBSTITUTED PYRIDO-7-PYRIMIDIN-7-ONES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-26 WO disclosed
US-20050107408-A1 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones ROCHE PALO ALTO LLC 2005-05-19 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-20080119497-A1 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones MAPK1, MAPK7, MAPK6 ALDH1A1 172/4885SYK 2141/4885MAPT 3429/4885
US-20050107408-A1 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones MAPK1, MAPK7, MAPK6 ALDH1A1 172/4885SYK 2141/4885MAPT 3429/4885

“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.