SCHEMBL264414

SCHEMBL264414

Cc1c(C(=O)N2CCCC2)sc2nc[nH]c(=O)c12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 5/20 0.65
HPGD P15428 4/20 0.61
LMNA P02545 4/20 0.58
KDM4E B2RXH2 3/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 2/20 0.58
HSD17B10 Q99714 1/20 0.58
POLB P06746 1/20 0.57
MAPT P10636 5/20 0.55
THRB P10828 4/20 0.55
TP53 P04637 2/20 0.55
HTT P42858 1/20 0.54
BLM P54132 1/20 0.54
PDPK1 O15530 1/20 0.54

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
SCHEMBL265004 0.84 TSHR (0.61) BCAT2HPGDLMNAKDM4EGAA
SCHEMBL264215 0.81 MAPT (0.61) BCAT2HPGDLMNAKDM4EGAA
SCHEMBL262735 0.80 LMNA (0.52) BCAT2HPGDLMNAALDH1A1MAPT
SCHEMBL263739 0.79 BCAT2 (1.00) BCAT2HPGDLMNAKDM4EGAA
SCHEMBL19119395 0.78 BCAT2 (0.76) BCAT2HPGDLMNAKDM4EGAA
SCHEMBL23209156 0.76 BCAT2 (0.72) BCAT2HPGDLMNAKDM4EGAA
SCHEMBL265344 0.76 HPGD (1.00) BCAT2HPGDLMNAKDM4EGAA
SCHEMBL23267317 0.75 BCAT2 (0.70) BCAT2HPGDLMNAKDM4EGAA
SCHEMBL263943 0.74 KDM4E (1.00) BCAT2HPGDLMNAKDM4EGAA
SCHEMBL23237561 0.72 THRB (0.65) BCAT2HPGDLMNAKDM4EGAA

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-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 US disclosed
US-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 US disclosed
US-8133998-B2 Bicyclic pyrimidine derivatives as calcium channel blockers Zalicus Pharmaceuticals, Ltd. (CA) 2012-03-13 US disclosed
WO-2008138126-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-20 WO disclosed
WO-2008138126-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-20 WO disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 US disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 US disclosed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 US 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 (1 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-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1G, RYR1 BCAT2 2562/4885HPGD 1832/4885LMNA 2366/4885

“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.