SCHEMBL264084

SCHEMBL264084

Cc1c(C(=O)N2CC[C@H](F)C2)sc2ncn(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
TP53 P04637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL264085 1.00 MAPT (0.52) MAPTTP53RXFP1ALDH1A1TSHR
SCHEMBL265171 0.95 MAPT (0.53) MAPTTP53RXFP1ALDH1A1TSHR
SCHEMBL296147 0.94 MAPT (0.48) MAPTTP53RXFP1ALDH1A1TSHR
SCHEMBL263725 0.90 MAPT (0.54) MAPTTP53RXFP1ALDH1A1TSHR
SCHEMBL263724 0.90 MAPT (0.54) MAPTTP53RXFP1ALDH1A1TSHR
SCHEMBL264143 0.89 MAPT (0.56) MAPTTP53RXFP1ALDH1A1TSHR
SCHEMBL263689 0.89 MAPT (0.55) MAPTTP53RXFP1ALDH1A1TSHR
SCHEMBL264273 0.87 MAPT (0.53) MAPTTP53RXFP1ALDH1A1TSHR
SCHEMBL263953 0.84 MAPT (0.56) MAPTTP53RXFP1ALDH1A1TSHR
SCHEMBL263265 0.84 MAPT (0.61) MAPTTP53RXFP1ALDH1A1POLB

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 claimed
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

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 MAPT 2985/4885TP53 3735/4885RXFP1 1295/4885

“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.