SCHEMBL338786

SCHEMBL338786

N#Cc1cc(N)ncc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ALDH1A1 P00352 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CNR1 P21554 7/20 0.40
CNR2 P34972 5/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39

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
SCHEMBL339246 0.84 KDM4E (0.49) KDM4EMAPTTDP1GSK3AGSK3B
SCHEMBL338897 0.81 KDM4E (0.44) KDM4EMAPTTDP1GSK3AGSK3B
SCHEMBL339660 0.75 GSK3A (0.50) KDM4EMAPTTDP1GSK3AGSK3B
SCHEMBL338681 0.74 KDM4E (0.44) KDM4EMAPTTDP1GSK3AGSK3B
SCHEMBL1913157 0.73 NOS3 (0.44) KDM4EALDH1A1HSP90AA1HSP90AB1MGAM
SCHEMBL1911493 0.73 HSP90AB1 (0.39) KDM4EMAPTALDH1A1LMNAPOLB
SCHEMBL25378957 0.72 KDM4E (0.53) KDM4EMAPTTDP1GSK3AGSK3B
SCHEMBL5108779 0.71 CSNK1A1 (0.50) KDM4ETDP1GSK3BDYRK1ACLK4
SCHEMBL30203623 0.71 CSNK1A1 (0.50) KDM4ETDP1GSK3BDYRK1ACLK4
SCHEMBL15916180 0.71 ALOX5AP (0.50) ALOX5APFEN1PIK3CA

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.