SCHEMBL338679

SCHEMBL338679

CC(C)COc1c(C#N)c(-c2ccc(Cl)cc2Cl)cn2c(-c3ccnc(F)c3)cnc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
CNR1 P21554 3/20 0.33
CNR2 P34972 2/20 0.33
AAK1 Q2M2I8 1/20 0.32
GABRA1 P14867 3/20 0.31
GABRG2 P18507 3/20 0.31
GABRB3 P28472 3/20 0.31
GABRA5 P31644 3/20 0.31
GABRA3 P34903 3/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 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
SCHEMBL338923 0.89 CYP11B2 (0.34) KDM4ECNR1CNR2GABRA1GABRG2
SCHEMBL1911559 0.87 AAK1 (0.31) KDM4EAAK1
SCHEMBL338879 0.84 KDM4E (0.37) KDM4ECNR2
SCHEMBL339662 0.81 KDM4E (0.35) KDM4ECNR1CNR2MAPTTDP1
SCHEMBL339638 0.79 CNR2 (0.44) KDM4ECNR2
SCHEMBL1911556 0.76 OPRL1 (0.31)
SCHEMBL339891 0.71 DPP4 (0.39) KDM4ECNR2MAPT
SCHEMBL1911557 0.67 KDM4E (0.32) KDM4E
SCHEMBL1913176 0.66 KDM4E (0.33) KDM4E
SCHEMBL340301 0.66 DPP4 (0.40) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
EP-2004643-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 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 (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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC KDM4E 3759/4885CNR1 1923/4885CNR2 2213/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC KDM4E 3759/4885CNR1 1923/4885CNR2 2213/4885

“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.