SCHEMBL265454

SCHEMBL265454

COC(=O)c1sc2ncn(CC(=O)NC3CCCCC3)c(=O)c2c1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GLA P06280 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
MAPT P10636 3/20 0.55
RXFP1 Q9HBX9 2/20 0.55
TP53 P04637 1/20 0.55
ATM Q13315 1/20 0.54
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL264298 0.90 USP2 (0.53) GAAALDH1A1KMT2AMEN1LMNA
SCHEMBL265918 0.87 ALDH1A1 (0.60) GAAALDH1A1KMT2AMEN1RXFP1
SCHEMBL263390 0.83 POLB (0.62) GAAALDH1A1KMT2AMEN1GLA
SCHEMBL263891 0.82 POLB (0.56) GAAALDH1A1KMT2AMEN1RXFP1
SCHEMBL263613 0.82 CYP3A4 (0.71) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL265104 0.81 POLB (0.57) GAAALDH1A1KMT2AMEN1GLA
SCHEMBL264680 0.81 LMNA (0.60) GAAALDH1A1KMT2AMEN1LMNA
SCHEMBL263885 0.81 CYP3A4 (0.72) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL264309 0.80 CYP3A4 (0.57) ALDH1A1KMT2AMEN1LMNANPSR1
SCHEMBL264725 0.80 CYP3A4 (0.59) ALDH1A1KMT2AMEN1NPSR1HTT

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 6 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
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 GAA 3277/4885ALDH1A1 3805/4885KMT2A 4469/4885

“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.