SCHEMBL3258118

SCHEMBL3258118

NC(=O)c1cc(F)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.47
MAP4K4 O95819 2/20 0.47
PARP1 P09874 2/20 0.42
IKBKB O14920 1/20 0.41
CHEK2 O96017 1/20 0.40
JAK2 O60674 3/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
STAT3 P40763 1/20 0.38
JAK3 P52333 1/20 0.38
KEAP1 Q14145 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.36
DGAT1 O75907 1/20 0.36
CSF1R P07333 1/20 0.36

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
SCHEMBL921542 0.84 KEAP1 (0.50) MAP4K4KEAP1KDM4EALDH1A1
SCHEMBL31382799 0.82 PIK3C3 (0.39) PIK3CBMAP4K4KEAP1
SCHEMBL4874417 0.82 PIK3C3 (0.39) PIK3CBMAP4K4KEAP1
SCHEMBL29920919 0.82 DGAT1 (0.41) MAP4K4PARP1JAK2JAK1TYK2
SCHEMBL13362461 0.80 MAP4K4 (0.34) PIK3CBMAP4K4CHEK2
SCHEMBL24367112 0.79 PIK3CB (0.50) PIK3CBMAP4K4IKBKBKDM4EALDH1A1
SCHEMBL21779429 0.79 PIK3CB (0.58) PIK3CBMAP4K4IKBKBCHEK2CSF1R
SCHEMBL17845037 0.78 NNMT (0.42) PIK3CBMAP4K4PARP1JAK2JAK1
SCHEMBL168694 0.78 CASP1 (0.42) MAP4K4PARP1JAK2JAK1TYK2
SCHEMBL23079020 0.78 OPRK1 (0.46) KDM4EALDH1A1GLAGAAHPGD

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 PIK3CB 3453/4885MAP4K4 792/4885PARP1 1107/4885

“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.