SCHEMBL339356

SCHEMBL339356

CC(C)CNc1c(C#N)c(-c2ccc(Cl)cc2Cl)cn2ccnc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
KDM4E B2RXH2 3/20 0.37
ALPL P05186 1/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GSK3A P49840 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DPP4 P27487 1/20 0.33
EGLN2 Q96KS0 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
SCHEMBL338266 0.83 DPP4 (0.44) GSK3BCNR1CNR2DPP4
SCHEMBL1911501 0.82 GSK3B (0.36) GSK3BCNR1CNR2ALPLDPP4
SCHEMBL339413 0.79 KDM4E (0.44) GSK3BCNR1CNR2KDM4EMAPT
SCHEMBL338874 0.77 GSK3B (0.47) GSK3BCNR1CNR2KDM4EMAPT
SCHEMBL338998 0.75 PIK3CA (0.41) CNR1CNR2KDM4EDPP4
SCHEMBL13657994 0.72 GSK3B (0.40) GSK3BCNR1CNR2KDM4EMAPT
SCHEMBL8224818 0.71 EGLN2 (0.40) GSK3BDPP4EGLN2
SCHEMBL339163 0.71 DPP4 (0.44) GSK3BDPP4
SCHEMBL340317 0.70 DPP4 (0.46) GSK3BDPP4EGLN2
SCHEMBL339648 0.69 DPP4 (0.44) GSK3BDPP4

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 GSK3B 2067/4885CNR1 1923/4885CNR2 2213/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC GSK3B 2067/4885CNR1 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.