SCHEMBL339660

SCHEMBL339660

N#Cc1c(-c2ccc(Cl)cc2Cl)cnc(N)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
DYRK1A Q13627 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
KDM4E B2RXH2 5/20 0.44
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PPARG P37231 1/20 0.40
STAT3 P40763 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ADORA2A P29274 3/20 0.39
ADORA1 P30542 3/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 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
SCHEMBL338786 0.75 KDM4E (0.47) GSK3AGSK3BDYRK1ACLK4KDM4E
SCHEMBL1911502 0.73 HSP90AB1 (0.38) KDM4EALDH1A1GAALMNAMEN1
SCHEMBL6115978 0.73 CSNK1A1 (0.46) DYRK1ACLK4KDM4EMAPTHPGD
SCHEMBL3256963 0.72 GSK3A (0.48) GSK3AGSK3BDYRK1ACLK4KDM4E
SCHEMBL339246 0.71 KDM4E (0.49) GSK3AGSK3BDYRK1ACLK4KDM4E
SCHEMBL23630302 0.71 GSK3A (0.50) GSK3AGSK3BDYRK1ACLK4KDM4E
SCHEMBL1388588 0.70 DHFR (0.59) KDM4EMAPTADORA2AADORA1LMNA
SCHEMBL338868 0.70 KDM4E (0.40) GSK3AGSK3BDYRK1ACLK4KDM4E
SCHEMBL3369385 0.70 ADORA1 (0.78) GSK3AGSK3BDYRK1ACLK4KDM4E
SCHEMBL28329968 0.69 KDM4E (0.51) GSK3AGSK3BDYRK1ACLK4KDM4E

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 GSK3A 2382/4885GSK3B 2067/4885DYRK1A 4778/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC GSK3A 2382/4885GSK3B 2067/4885DYRK1A 4778/4885

“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.