SCHEMBL503108

SCHEMBL503108

Nc1ncc(Br)c(Cl)c1Br

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KMT2A Q03164 1/20 0.43
EPHB4 P54760 1/20 0.32
DYRK1A Q13627 1/20 0.31

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
SCHEMBL15661581 0.83 HTT (0.44) HTTKMT2AEPHB4DYRK1A
SCHEMBL18708648 0.81 HTT (0.43) HTTKMT2AEPHB4DYRK1A
SCHEMBL31569579 0.81 HTT (0.43) HTTKMT2AEPHB4DYRK1A
SCHEMBL20536281 0.77 HTT (0.40) HTTKMT2AEPHB4
SCHEMBL21465738 0.77 HTT (0.35) HTTKMT2AEPHB4
SCHEMBL11709628 0.77 HTT (0.40) HTTKMT2AEPHB4
SCHEMBL20778042 0.77 HTT (0.40) HTTKMT2AEPHB4
SCHEMBL17320946 0.77 HTT (0.40) HTTKMT2AEPHB4
SCHEMBL23773562 0.73 HTT (0.40) HTTKMT2AEPHB4
SCHEMBL29963865 0.73 HTT (0.40) HTTKMT2AEPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2404918-B1 PYRIDINE DERIVATIVE AS PPARY INHIBITOR DAIICHI SANKYO CO LTD (JP) 2016-11-30 EP disclosed
US-8946264-B2 Pyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-03 US disclosed
US-20130204009-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-08 US disclosed
EP-2615081-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-17 EP disclosed
US-20130045994-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-21 US disclosed
US-20120029026-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-02 US disclosed
EP-2404918-A1 PYRIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-11 EP 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 (3 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-20130204009-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS HPD, CYP2B6, PAH HTT 1699/4885KMT2A 825/4885EPHB4 1819/4885
US-20120029026-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA HTT 3517/4885KMT2A 3426/4885EPHB4 2527/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA HTT 3517/4885KMT2A 3426/4885EPHB4 2527/4885

“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.