SCHEMBL263254

SCHEMBL263254

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

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
BCAT2 O15382 1/20 0.57
HPGD P15428 1/20 0.57
MAPT P10636 5/20 0.55
MAPK1 P28482 1/20 0.54
GLA P06280 1/20 0.54
HTT P42858 1/20 0.54
RECQL P46063 1/20 0.54
TP53 P04637 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL264680 0.89 LMNA (0.60) LMNAMAPTMAPK1GLAHTT
SCHEMBL263880 0.81 CYP3A4 (0.61) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL17211747 0.80 LMNA (0.61) LMNABCAT2HPGDMAPTMAPK1
SCHEMBL264298 0.80 USP2 (0.53) LMNABCAT2HPGDMAPTGLA
SCHEMBL263265 0.79 MAPT (0.61) LMNABCAT2HPGDMAPTGLA
SCHEMBL264180 0.79 ALDH1A1 (0.79) LMNABCAT2HPGDMAPTGLA
SCHEMBL263672 0.78 CYP3A4 (0.61) LMNAMAPTTP53ALDH1A1POLB
SCHEMBL262988 0.78 CYP3A4 (0.61) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL263204 0.77 MEN1 (0.65) MAPTTP53RXFP1MEN1KMT2A
SCHEMBL266067 0.77 CYP3A4 (0.55) LMNAMAPTMAPK1HTTTP53

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 LMNA 2366/4885BCAT2 2562/4885HPGD 1832/4885

“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.