SCHEMBL1006791

SCHEMBL1006791

O=C(O)c1ccnc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
TSHR P16473 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 2/20 0.51
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
POLQ O75417 1/20 0.49
MAPT P10636 8/20 0.48
TP53 P04637 3/20 0.47
KCNJ2 P63252 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL1006480 0.88 POLB (0.53) LMNATSHRNPSR1GAAMAPT
SCHEMBL8000568 0.88 GRIA2 (0.56) LMNATSHRNPSR1GAAPOLQ
SCHEMBL1009744 0.86 MAPT (0.52) LMNATSHRNPSR1GAAPOLQ
SCHEMBL1007662 0.86 POLQ (0.47) LMNATSHRNPSR1GAAPOLQ
SCHEMBL1006846 0.86 SMN1; SMN2 (0.48) LMNATSHRNPSR1GAAMAPT
SCHEMBL1009644 0.85 CYP1A2 (0.46) LMNATSHRNPSR1GAAMAPT
SCHEMBL1007814 0.83 LMNA (0.50) LMNATSHRNPSR1GAAALDH1A1
SCHEMBL1006529 0.83 SMN1; SMN2 (0.49) LMNATSHRNPSR1GAAMAPT
SCHEMBL1007169 0.82 MAPT (0.47) LMNATSHRGAAALDH1A1MAPT
SCHEMBL1005501 0.82 LMNA (0.45) LMNATSHRNPSR1GAAMAPT

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-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
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 LMNA 4015/4885TSHR 134/4885NPSR1 95/4885

“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.