SCHEMBL338868

SCHEMBL338868

N#Cc1c(-c2ccc(Cl)cc2Cl)cn2c(Br)cnc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL339662 0.81 KDM4E (0.35) KDM4ETDP1MAPTGSK3AGSK3B
SCHEMBL338698 0.78 PIK3CA (0.46) KDM4EMAPTHPGDHSD17B10USP2
SCHEMBL339413 0.75 KDM4E (0.44) KDM4ETDP1MAPTGSK3AGSK3B
SCHEMBL339660 0.70 GSK3A (0.50) KDM4ETDP1MAPTGSK3AGSK3B
SCHEMBL339783 0.68 PIK3CA (0.44) KDM4EMAPTGSK3AGSK3BDYRK1A
SCHEMBL13193039 0.67 KDM4E (0.33) KDM4EMAPTHPGDHSD17B10KMT2A
SCHEMBL27039256 0.67 GRM2 (0.36) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL1913176 0.67 KDM4E (0.33) KDM4EHPGDPOLBSMN1; SMN2DPP4
SCHEMBL339148 0.67 KDM4E (0.41) KDM4ETDP1MAPTGSK3AGSK3B
SCHEMBL1913155 0.67 CRHR1 (0.36) KDM4EMEN1KMT2AEGLN2NPC1

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 8 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

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 3759/4885TDP1 3650/4885MAPT 2167/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC KDM4E 3759/4885TDP1 3650/4885MAPT 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.