SCHEMBL263601

SCHEMBL263601

Cc1c(C(=O)O)sc2ncn(CCN3CCCC3=O)c(=O)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
BCAT2 O15382 2/20 0.57
ALDH1A1 P00352 4/20 0.51
USP2 O75604 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 2/20 0.49
POLB P06746 2/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL263822 0.89 ATM (0.55) LMNAHPGDALDH1A1USP2MAPK1
SCHEMBL263457 0.84 CYP3A4 (0.60) LMNAALDH1A1GAAPOLBKMT2A
SCHEMBL263931 0.80 CYP3A4 (0.61) LMNAALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL264292 0.79 MAPT (0.62) LMNAALDH1A1POLBKMT2AMEN1
SCHEMBL14022735 0.78 HTR1A (0.53) LMNAALDH1A1USP2MAPK1HTT
SCHEMBL265216 0.78 CYP3A4 (0.54) LMNAALDH1A1POLBKMT2AMEN1
SCHEMBL14023515 0.77 MEN1 (0.51) GAAPOLBKMT2AMEN1TSHR
SCHEMBL17211747 0.73 LMNA (0.61) LMNAHPGDBCAT2ALDH1A1USP2
SCHEMBL264180 0.72 ALDH1A1 (0.79) LMNAHPGDBCAT2ALDH1A1HTT
SCHEMBL264298 0.71 USP2 (0.53) LMNAHPGDBCAT2ALDH1A1USP2

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 8 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
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 2366/4885HPGD 1832/4885BCAT2 2562/4885

“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.