SCHEMBL2944223

SCHEMBL2944223

CSc1ncc(C=O)c(NCC(C)O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SYK P43405 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
FOS P01100 1/20 0.32
JUN P05412 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
NTRK1 P04629 1/20 0.32
MAPK1 P28482 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31

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
SCHEMBL2944224 1.00 KMT2A (0.38) KMT2AALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL2944222 1.00 KMT2A (0.38) KMT2AALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL29507814 0.89 ALDH1A1 (0.36) KMT2AALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL28734760 0.89 ALDH1A1 (0.36) KMT2AALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL26087711 0.84 ALDH1A1 (0.35) KMT2AALDH1A1SMN1; SMN2SYKMEN1
SCHEMBL30345917 0.84 ALDH1A1 (0.35) KMT2AALDH1A1SMN1; SMN2SYKMEN1
SCHEMBL1521840 0.81 ALDH1A1 (0.40) KMT2AALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL29957312 0.81 ALDH1A1 (0.39) KMT2AALDH1A1KDM4ESYKMEN1
SCHEMBL2946596 0.79 HTT (0.51) KMT2AALDH1A1SMN1; SMN2KDM4ESYK
SCHEMBL2943677 0.79 HTT (0.51) KMT2AALDH1A1SMN1; SMN2KDM4ESYK

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-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-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 KMT2A 3191/4885ALDH1A1 172/4885SMN1; SMN2 829/4885
US-20050107408-A1 Hydroxyalkyl substituted pyrido-7-pyrimidin-7-ones MAPK1, MAPK7, MAPK6 KMT2A 3191/4885ALDH1A1 172/4885SMN1; SMN2 829/4885

“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.