SCHEMBL264298

SCHEMBL264298

Cc1c(C(=O)O)sc2ncn(CC(=O)NC3CCCCC3)c(=O)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
GAA P10253 2/20 0.52
LMNA P02545 3/20 0.52
BCAT2 O15382 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 1/20 0.51
RXFP1 Q9HBX9 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GLA P06280 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL265454 0.90 GAA (0.57) USP2GAALMNAKMT2AMEN1
SCHEMBL265918 0.88 ALDH1A1 (0.60) USP2GAAKMT2AMEN1SMN1; SMN2
SCHEMBL263390 0.85 POLB (0.62) USP2GAAKMT2AMEN1SMN1; SMN2
SCHEMBL263891 0.84 POLB (0.56) USP2GAAKMT2AMEN1SMN1; SMN2
SCHEMBL264309 0.83 CYP3A4 (0.57) USP2LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL265104 0.82 POLB (0.57) USP2GAAKMT2AMEN1SMN1; SMN2
SCHEMBL265992 0.82 CYP3A4 (0.58) USP2LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL265165 0.80 CYP3A4 (0.58) USP2KMT2AMEN1ALDH1A1MAPT
SCHEMBL264256 0.80 CYP3A4 (0.58) USP2ALDH1A1MAPTTSHRRXFP1
SCHEMBL263613 0.80 CYP3A4 (0.71) LMNAHPGDKMT2AMEN1SMN1; 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 7 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
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 USP2 4768/4885GAA 3277/4885LMNA 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.