SCHEMBL1007169

SCHEMBL1007169

Cn1ccc(NC(=O)c2ccnc(Cn3nc(C(F)(F)F)c4c3CCCC4)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1062772 0.85 MAPT (0.51) MAPTSMN1; SMN2TSHRGAAHSD17B10
SCHEMBL1009744 0.85 MAPT (0.52) MAPTTSHRGAAHSD17B10TP53
SCHEMBL1006846 0.84 SMN1; SMN2 (0.48) MAPTSMN1; SMN2TSHRGAAHSD17B10
SCHEMBL1005501 0.82 LMNA (0.45) MAPTSMN1; SMN2TSHRGAAHSD17B10
SCHEMBL1006480 0.82 POLB (0.53) MAPTSMN1; SMN2TSHRGAAHSD17B10
SCHEMBL1006791 0.82 LMNA (0.55) MAPTSMN1; SMN2TSHRGAAHSD17B10
SCHEMBL1009644 0.82 CYP1A2 (0.46) MAPTSMN1; SMN2TSHRGAAHSD17B10
SCHEMBL8003022 0.82 MAPT (0.49) MAPTSMN1; SMN2TSHRGAAHSD17B10
SCHEMBL8000568 0.81 GRIA2 (0.56) MAPTSMN1; SMN2TSHRGAAHSD17B10
SCHEMBL1009492 0.80 MAPT (0.50) MAPTSMN1; SMN2TSHRGAAHSD17B10

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

“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.