SCHEMBL3255349

SCHEMBL3255349

CCCCc1cnc(Cl)c(C(=O)OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.42
NFKB1 P19838 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL8628648 0.94 SMN1; SMN2 (0.46) SMN1; SMN2MAPTNFKB1KDM4EHSD17B10
SCHEMBL3849724 0.86 PDE4A (0.42) SMN1; SMN2MAPTALDH1A1KDM4EALOX15
SCHEMBL3252310 0.84 NFKB1 (0.53) SMN1; SMN2MAPTALDH1A1NFKB1KDM4E
SCHEMBL31271554 0.81 CYP4F2 (0.45) SMN1; SMN2MAPTALDH1A1KDM4EALOX15
SCHEMBL2364705 0.79 KAT8 (0.52) SMN1; SMN2MAPTALDH1A1NFKB1KDM4E
SCHEMBL344103 0.75 PARP1 (0.57) SMN1; SMN2MAPTALDH1A1NFKB1KDM4E
SCHEMBL30816026 0.75 OPRK1 (0.48) SMN1; SMN2MAPTALDH1A1NFKB1KDM4E
SCHEMBL473981 0.75 OPRK1 (0.48) SMN1; SMN2MAPTALDH1A1NFKB1KDM4E
SCHEMBL23517141 0.75 SMN1; SMN2 (0.40) SMN1; SMN2MAPTALDH1A1NFKB1KDM4E
SCHEMBL11671606 0.74 NFKB1 (0.42) SMN1; SMN2MAPTALDH1A1NFKB1KDM4E

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
CN-101448836-B Pyridopyrimidinone derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-14 CN disclosed
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
CN-101448836-A Pyridopyrimidinone derivatives HOFFMANN LA ROCHE (CH) 2009-06-03 CN disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 SMN1; SMN2 2757/4885MAPT 4450/4885ALDH1A1 1422/4885

“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.