SCHEMBL264261

SCHEMBL264261

CNC(=O)c1sc2ncn(CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c2c1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
TP53 P04637 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 1/20 0.54
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPSR1 Q6W5P4 3/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.51
RAB9A P51151 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL10095219 0.93 MAPT (0.54) MAPTTP53RXFP1ALDH1A1TDP1
SCHEMBL264647 0.91 MAPT (0.57) MAPTTP53RXFP1ALDH1A1TDP1
SCHEMBL263265 0.91 MAPT (0.61) MAPTTP53RXFP1ALDH1A1TDP1
SCHEMBL264881 0.90 MAPT (0.60) MAPTTP53RXFP1ALDH1A1TDP1
SCHEMBL263605 0.89 MAPT (0.67) MAPTTP53RXFP1ALDH1A1TDP1
SCHEMBL14023426 0.86 MAPT (0.71) MAPTTP53RXFP1ALDH1A1TDP1
SCHEMBL264143 0.86 MAPT (0.56) MAPTTP53RXFP1ALDH1A1SMN1; SMN2
SCHEMBL263689 0.85 MAPT (0.55) MAPTTP53RXFP1ALDH1A1SMN1; SMN2
SCHEMBL264273 0.84 MAPT (0.53) MAPTTP53RXFP1ALDH1A1TDP1
SCHEMBL265171 0.84 MAPT (0.53) MAPTTP53RXFP1ALDH1A1SMN1; SMN2

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 9 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
WO-2008138126-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-11-20 WO claimed
US-20080280900-A1 BICYCLIC PYRIMIDINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2008-11-13 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
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.