SCHEMBL264680

SCHEMBL264680

COC(=O)c1sc2ncn(CC(=O)NC(C)(C)C)c(=O)c2c1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
GLA P06280 1/20 0.60
HTT P42858 1/20 0.60
RECQL P46063 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ATM Q13315 1/20 0.60
MAPT P10636 6/20 0.59
TP53 P04637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPK1 P28482 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL263254 0.89 LMNA (0.57) LMNAGLAHTTRECQLNPSR1
SCHEMBL19867241 0.81 ATM (0.61) LMNAGLAHTTRECQLNPSR1
SCHEMBL263035 0.81 ALDH1A1 (0.85) LMNAGLAHTTRECQLNPSR1
SCHEMBL265454 0.81 GAA (0.57) LMNAGLAHTTRECQLNPSR1
SCHEMBL14023426 0.78 MAPT (0.71) LMNAGLAHTTRECQLNPSR1
SCHEMBL263880 0.77 CYP3A4 (0.61) LMNANPSR1MAPTALDH1A1MEN1
SCHEMBL263672 0.76 CYP3A4 (0.61) LMNAMAPTTP53ALDH1A1
SCHEMBL266067 0.75 CYP3A4 (0.55) LMNAHTTMAPTTP53RXFP1
SCHEMBL263204 0.75 MEN1 (0.65) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL263137 0.74 CYP3A4 (0.55) MAPTALDH1A1

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 LMNA 2366/4885GLA 3324/4885HTT 3876/4885

“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.