SCHEMBL339662

SCHEMBL339662

CC(C)COc1c(C#N)c(-c2ccc(Cl)cc2Cl)cn2c(Br)cnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL1911557 0.84 KDM4E (0.32) KDM4EHPGDALDH1A1POLBCYP2C9
SCHEMBL1913176 0.84 KDM4E (0.33) KDM4EHPGDALDH1A1POLBCYP2C9
SCHEMBL340301 0.83 DPP4 (0.40) KDM4EHPGDALDH1A1POLBCYP2C9
SCHEMBL338923 0.82 CYP11B2 (0.34) KDM4EMAPTTDP1GSK3AGSK3B
SCHEMBL338679 0.81 KDM4E (0.36) KDM4EMAPTTDP1GSK3AGSK3B
SCHEMBL338868 0.81 KDM4E (0.40) KDM4EMAPTTDP1GSK3AGSK3B
SCHEMBL339638 0.77 CNR2 (0.44) KDM4ECNR2ALDH1A1
SCHEMBL338879 0.76 KDM4E (0.37) KDM4ECNR2HPGDALDH1A1SCN9A
SCHEMBL1911560 0.75 PTGER1 (0.33) KDM4ECNR1CNR2HPGDALDH1A1
SCHEMBL1911559 0.67 AAK1 (0.31) KDM4EHPGDALDH1A1POLBCYP2C9

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 9 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
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 3759/4885MAPT 2167/4885TDP1 3650/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC KDM4E 3759/4885MAPT 2167/4885TDP1 3650/4885

“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.