SCHEMBL1744330

SCHEMBL1744330

Cc1cc(Cl)nnc1-c1cccc(C(=O)N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
ERN1 O75460 6/20 0.44
MTOR P42345 2/20 0.43
PIK3CA P42336 1/20 0.43
PDK1 Q15118 2/20 0.41
CYP3A4 P08684 1/20 0.40
MAP4K1 Q92918 1/20 0.40
FYN P06241 2/20 0.40
POLQ O75417 1/20 0.39
CECR2 Q9BXF3 2/20 0.39
PDK2 Q15119 1/20 0.39
TRIM24 O15164 1/20 0.38
BRD4 O60885 1/20 0.38
TAF1 P21675 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
BRPF1 P55201 1/20 0.38
EP300 Q09472 1/20 0.38
PBRM1 Q86U86 1/20 0.38
CREBBP Q92793 1/20 0.38

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
SCHEMBL1743228 0.85 PDK1 (0.46) ERN1MTORPIK3CAPDK1CYP3A4
SCHEMBL12159840 0.79 KDR (0.40) DHODHPDK1PDK2
SCHEMBL1742551 0.77 ERN1 (0.45) DHODHERN1MTORPDK1CYP3A4
SCHEMBL2403932 0.75 DHODH (0.56) DHODHERN1MTORPIK3CAPDK1
SCHEMBL1743016 0.74 HRH3 (0.40) DHODHERN1MTORPIK3CAFYN
SCHEMBL12472078 0.73 ERN1 (0.56) ERN1CYP3A4MAP4K1PDK2
SCHEMBL1742860 0.73 NPC1 (0.51) FYN
SCHEMBL1752868 0.72 PDE10A (0.47) PDK1PDE10A
SCHEMBL16574197 0.72 CECR2 (0.48) ERN1MTORCECR2PDK2TRIM24
SCHEMBL29588369 0.71 ERN1 (0.51) ERN1MTORFYNCECR2PDK2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 US disclosed
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 US disclosed
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 US disclosed
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
EP-2233470-A1 Histamine H3 receptor antagonists High Point Pharmaceuticals, LLC (US) 2010-09-29 EP disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US disclosed
EP-1902028-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS Novo Nordisk A/S (DK) 2008-03-26 EP disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 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-20120232078-A1 Novel Medicaments HRH3, HRH4, HRH1 DHODH 3600/4885ERN1 3454/4885MTOR 1535/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 DHODH 3600/4885ERN1 3454/4885MTOR 1535/4885

“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.