SCHEMBL3246145

SCHEMBL3246145

CCOC(=O)COCCc1c(F)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 2/20 0.53
ATM Q13315 2/20 0.53
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 3/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
NLRP3 Q96P20 2/20 0.48
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL5252336 0.80 KMT2A (0.60) KMT2AMEN1ATMALDH1A1TDP1
SCHEMBL29943508 0.80 KMT2A (0.60) KMT2AMEN1ATMALDH1A1TDP1
SCHEMBL4468837 0.79 KMT2A (0.53) KMT2AMEN1ATMALDH1A1TDP1
SCHEMBL15551312 0.79 NLRP3 (0.56) KMT2AMEN1ATMALDH1A1TDP1
SCHEMBL3252411 0.78 NLRP3 (0.49) ALDH1A1TDP1SMN1; SMN2KDM4EPOLB
SCHEMBL1624782 0.76 PDE3B (0.41) ALDH1A1TDP1ALOX15SMN1; SMN2TSHR
SCHEMBL4331423 0.76 SMN1; SMN2 (0.56) KMT2AMEN1ATMALDH1A1TDP1
Hydrochloric Acid SCHEMBL3257859 0.74 TAAR1 (0.53) KMT2AMEN1ATMALDH1A1TDP1
1,2-Dichlorobenzene SCHEMBL27264173 0.74 NLRP3 (0.56) ALDH1A1SMN1; SMN2KDM4ETSHRPOLB
SCHEMBL3257843 0.73 PPARA (0.48) SMN1; SMN2NLRP3MAPTTAAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KMT2A 2087/4885MEN1 627/4885ATM 2407/4885

“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.