SCHEMBL263822

SCHEMBL263822

COC(=O)c1sc2ncn(CCN3CCCC3=O)c(=O)c2c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GLA P06280 1/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL263601 0.89 LMNA (0.57) ALDH1A1KMT2AGAAMEN1SMN1; SMN2
SCHEMBL263457 0.79 CYP3A4 (0.60) ALDH1A1KMT2AGAAMEN1MAPT
SCHEMBL263931 0.78 CYP3A4 (0.61) ALDH1A1MAPTTP53RXFP1SMN1; SMN2
SCHEMBL264292 0.77 MAPT (0.62) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL14022735 0.76 HTR1A (0.53) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL265216 0.76 CYP3A4 (0.54) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL14023515 0.74 MEN1 (0.51) KMT2AGAAMEN1MAPTTP53
SCHEMBL263035 0.74 ALDH1A1 (0.85) ATMALDH1A1KMT2AGAAMEN1
SCHEMBL19867241 0.74 ATM (0.61) ATMALDH1A1KMT2AGAAMEN1
SCHEMBL265454 0.73 GAA (0.57) ATMALDH1A1KMT2AGAAMEN1

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 ATM 4610/4885ALDH1A1 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.