SCHEMBL338874

SCHEMBL338874

N#Cc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.47
KDM4E B2RXH2 3/20 0.43
GSK3A P49840 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
EGLN2 Q96KS0 1/20 0.39
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL339413 0.88 KDM4E (0.44) GSK3BKDM4EGSK3ADYRK1ACLK4
SCHEMBL13657994 0.80 GSK3B (0.40) GSK3BKDM4EGSK3ADYRK1ACLK4
SCHEMBL340211 0.79 DPP4 (0.49) GSK3BEGLN2DPP4DPP8
SCHEMBL1911506 0.78 EGLN2 (0.41) GSK3BKDM4EEGLN2LMNAPOLB
SCHEMBL339356 0.77 GSK3B (0.43) GSK3BKDM4EGSK3ADYRK1ACLK4
SCHEMBL339104 0.73 KDM4E (0.45) GSK3BKDM4EEGLN2HPGDHSD17B10
SCHEMBL340316 0.73 DPP4 (0.48) GSK3BEGLN2DPP4DPP8
SCHEMBL3256963 0.71 GSK3A (0.48) GSK3BKDM4EGSK3ADYRK1ACLK4
SCHEMBL1911503 0.70 EGLN2 (0.40) GSK3BKDM4EEGLN2LMNAMEN1
SCHEMBL339783 0.70 PIK3CA (0.44) GSK3BKDM4EGSK3ADYRK1ACLK4

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 2067/4885KDM4E 3759/4885GSK3A 2382/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC GSK3B 2067/4885KDM4E 3759/4885GSK3A 2382/4885

“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.