SCHEMBL262735

SCHEMBL262735

Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)sc2nc[nH]c(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MAPT P10636 3/20 0.52
THRB P10828 3/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
BCAT2 O15382 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HSP90AA1 P07900 1/20 0.48
BLM P54132 1/20 0.48
HPGD P15428 1/20 0.47

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 0.89 TSHR (0.61) LMNAMAPTTHRBTP53TSHR
SCHEMBL264414 0.80 BCAT2 (0.65) LMNAMAPTTHRBTP53ALDH1A1
SCHEMBL264215 0.80 MAPT (0.61) LMNAMAPTTHRBTP53TSHR
SCHEMBL263914 0.77 MAPT (0.61) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL263619 0.77 MAPT (0.61) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL264233 0.76 SMN1; SMN2 (0.61) LMNAMAPTTSHRALDH1A1SMN1; SMN2
SCHEMBL13165021 0.76 NOD2 (0.58) LMNAMAPTTHRBTSHRALDH1A1
SCHEMBL264178 0.75 TP53 (0.61) LMNAMAPTTHRBTP53TSHR
SCHEMBL263137 0.75 CYP3A4 (0.55) MAPTTSHRALDH1A1
SCHEMBL268610 0.74 MAPT (0.62) MAPTTP53TSHRALDH1A1SMN1; SMN2

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 LMNA 2366/4885MAPT 2985/4885THRB 408/4885

“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.