SCHEMBL338879

SCHEMBL338879

CC(C)COc1c(C#N)c(-c2ccc(Cl)cc2Cl)cn2c(-c3ccnc(N4CCOCC4)c3)cnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LRRK2 Q5S007 3/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
GRM2 Q14416 1/20 0.36
NMT1 P30419 2/20 0.35
SCN9A Q15858 1/20 0.35
CNR2 P34972 1/20 0.35
SMG1 Q96Q15 3/20 0.34
ABL1 P00519 1/20 0.34
PPARG P37231 1/20 0.34
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
ACVR1 Q04771 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL339638 0.90 CNR2 (0.44) KDM4EL3MBTL1PIK3CAMTORGRM2
SCHEMBL339891 0.87 DPP4 (0.39) KDM4ELRRK2NMT1CNR2SMG1
SCHEMBL338679 0.84 KDM4E (0.36) KDM4ECNR2
SCHEMBL338923 0.79 CYP11B2 (0.34) KDM4ESCN9ACNR2
SCHEMBL339822 0.78 CNR2 (0.45) CNR2ALDH1A1
SCHEMBL339662 0.76 KDM4E (0.35) KDM4ESCN9ACNR2ALDH1A1HPGD
SCHEMBL339055 0.72 CNR2 (0.40) LRRK2NMT1CNR2SMG1ABL1
SCHEMBL338998 0.72 PIK3CA (0.41) KDM4EL3MBTL1PIK3CAMTORGRM2
SCHEMBL1911559 0.72 AAK1 (0.31) KDM4EALDH1A1HPGD
SCHEMBL339388 0.72 DPP4 (0.43) KDM4ECNR2AR

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 3 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-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

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 3759/4885L3MBTL1 4046/4885LRRK2 4623/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC KDM4E 3759/4885L3MBTL1 4046/4885LRRK2 4623/4885

“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.