SCHEMBL1894438

SCHEMBL1894438

Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cnn1C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
POLB P06746 4/20 0.64
TSHR P16473 3/20 0.62
GAA P10253 1/20 0.62
HSD17B10 Q99714 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
TP53 P04637 4/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 1/20 0.59
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL1008136 0.87 POLB (0.61) MAPTPOLBTSHRGAAHSD17B10
SCHEMBL1007299 0.82 MAPT (0.66) MAPTPOLBTSHRGAAHSD17B10
SCHEMBL1007707 0.82 POLB (0.81) MAPTPOLBTSHRGAAHSD17B10
SCHEMBL1008738 0.81 MAPT (0.59) MAPTPOLBTSHRGAAHSD17B10
SCHEMBL1007243 0.81 POLB (0.63) MAPTPOLBTSHRGAAHSD17B10
SCHEMBL1007433 0.78 POLB (0.62) MAPTPOLBTSHRGAAHSD17B10
SCHEMBL1008520 0.77 MAPT (0.64) MAPTPOLBTSHRGAAHSD17B10
SCHEMBL1009425 0.77 TP53 (0.78) MAPTPOLBTSHRGAAHSD17B10
SCHEMBL1894400 0.77 MAPT (0.67) MAPTPOLBTSHRGAAHSD17B10
SCHEMBL1894452 0.77 MAPT (0.81) MAPTPOLBTSHRGAAHSD17B10

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
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

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 4623/4885POLB 3571/4885TSHR 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.