SCHEMBL1006900

SCHEMBL1006900

CC(NC(=O)c1cccc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.51
GRIA2 P42262 1/20 0.49
POLB P06746 3/20 0.49
MAPT P10636 3/20 0.49
POLQ O75417 1/20 0.48
REN P00797 2/20 0.47
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL1009106 0.91 GRIA2 (0.54) GRIA2POLBMAPTPOLQGAA
SCHEMBL1006093 0.84 MAPT (0.57) POLBMAPTPOLQGAALMNA
SCHEMBL1007029 0.83 LMNA (0.56) GRIA2POLBMAPTPOLQGAA
SCHEMBL1006340 0.83 POLB (0.52) POLBMAPTPOLQGAAALDH1A1
SCHEMBL1007605 0.82 POLB (0.63) POLBMAPTPOLQGAALMNA
SCHEMBL1893494 0.82 POLB (0.54) POLBMAPTGAALMNATP53
SCHEMBL1007201 0.81 POLB (0.56) GRIA2POLBMAPTPOLQGAA
SCHEMBL1006269 0.81 GRIA2 (0.55) GRIA2POLBMAPTPOLQGAA
SCHEMBL12666779 0.80 POLB (0.52) POLBMAPTGAALMNATP53
SCHEMBL1005209 0.80 MAPT (0.52) POLBMAPTPOLQGAALMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 PTGER4 1342/4885GRIA2 23/4885POLB 3571/4885

“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.