SCHEMBL338987

SCHEMBL338987

N#Cc1cc2nncn2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR1 P21554 7/20 0.38
CNR2 P34972 6/20 0.38
HSD11B1 P28845 1/20 0.37
F11 P03951 2/20 0.37
KLKB1 P03952 2/20 0.37
KDM1A O60341 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL339104 0.79 KDM4E (0.45) KDM4EMAPTTDP1CNR1CNR2
SCHEMBL339148 0.77 KDM4E (0.41) KDM4EMAPTTDP1CNR1CNR2
SCHEMBL1911494 0.76 HSD11B1 (0.37) KDM4EHSD11B1LMNAGAAHTT
SCHEMBL340289 0.76 DPP4 (0.41) HSD11B1LMNA
SCHEMBL338681 0.72 KDM4E (0.44) KDM4EMAPTTDP1CNR1CNR2
SCHEMBL339677 0.69 NPC1 (0.42) KDM4EMAPTCNR1CNR2LMNA
SCHEMBL339722 0.68 CYP1A2 (0.41) KDM4EMAPTTDP1CNR1CNR2
SCHEMBL339246 0.67 KDM4E (0.49) KDM4EMAPTTDP1CNR1CNR2
SCHEMBL27966715 0.67 KDM4E (0.40) KDM4EMAPTTDP1CNR1CNR2
SCHEMBL338786 0.65 KDM4E (0.47) KDM4EMAPTTDP1CNR1CNR2

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.