SCHEMBL339104

SCHEMBL339104

N#Cc1cc2nccn2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
EGLN2 Q96KS0 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CNR1 P21554 5/20 0.40
CNR2 P34972 4/20 0.40
PDE4A P27815 1/20 0.40
PDE3A Q14432 1/20 0.40
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSK3B P49841 1/20 0.39
F11 P03951 4/20 0.38
KLKB1 P03952 4/20 0.38
NPC1 O15118 1/20 0.38
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37

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
SCHEMBL338987 0.79 KDM4E (0.40) KDM4EMAPTTDP1CNR1CNR2
SCHEMBL1913156 0.76 EGLN2 (0.41) KDM4EEGLN2NPC1
SCHEMBL1911471 0.76 EGLN2 (0.41) KDM4EEGLN2NPC1
SCHEMBL339621 0.76 EGLN2 (0.41) EGLN2NPC1
SCHEMBL339578 0.76 DPP4 (0.43) EGLN2CYP3A4NPC1
SCHEMBL338509 0.76 TDP1 (0.41) KDM4EEGLN2MAPTTDP1NPC1
SCHEMBL4724441 0.75 ALDH1A1 (0.43) KDM4EEGLN2NPC1
SCHEMBL339413 0.75 KDM4E (0.44) KDM4EEGLN2MAPTTDP1CNR1
SCHEMBL339148 0.75 KDM4E (0.41) KDM4EMAPTTDP1CNR1CNR2
SCHEMBL1913172 0.74 NPC1 (0.41) KDM4EEGLN2HPGDNPC1

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 3759/4885EGLN2 1199/4885MAPT 2167/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC KDM4E 3759/4885EGLN2 1199/4885MAPT 2167/4885

“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.