SCHEMBL1006846

SCHEMBL1006846

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
TSHR P16473 3/20 0.48
MAPT P10636 9/20 0.48
GAA P10253 2/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 5/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIA2 P42262 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 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) SMN1; SMN2TSHRMAPTGAAHSD17B10
SCHEMBL1006791 0.86 LMNA (0.55) SMN1; SMN2TSHRMAPTGAAHSD17B10
SCHEMBL1009644 0.86 CYP1A2 (0.46) SMN1; SMN2TSHRMAPTGAAHSD17B10
SCHEMBL1008036 0.86 POLQ (0.48) SMN1; SMN2TSHRMAPTGAAHSD17B10
SCHEMBL1009744 0.85 MAPT (0.52) TSHRMAPTGAAHSD17B10LMNA
SCHEMBL1007169 0.84 MAPT (0.47) SMN1; SMN2TSHRMAPTGAAHSD17B10
SCHEMBL8000568 0.84 GRIA2 (0.56) SMN1; SMN2TSHRMAPTGAAHSD17B10
SCHEMBL1009106 0.83 GRIA2 (0.54) SMN1; SMN2TSHRMAPTGAAHSD17B10
SCHEMBL1006529 0.83 SMN1; SMN2 (0.49) SMN1; SMN2TSHRMAPTGAAHSD17B10
SCHEMBL1007814 0.83 LMNA (0.50) SMN1; SMN2TSHRMAPTGAAHSD17B10

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 4 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
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 SMN1; SMN2 3616/4885TSHR 134/4885MAPT 4623/4885

“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.