SCHEMBL1008050

SCHEMBL1008050

CC(CCn1nc(C(F)(F)F)c2c1CCCC2)C(=O)Nc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
TSHR P16473 3/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 6/20 0.50
TP53 P04637 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLQ O75417 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 4/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1007548 0.87 MAPT (0.56) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1008280 0.85 MAPT (0.49) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1891758 0.85 POLB (0.56) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1896832 0.84 POLB (0.55) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1007045 0.83 MAPT (0.49) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1006454 0.82 POLB (0.68) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1007750 0.82 ALDH1A1 (0.59) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1894037 0.81 LMNA (0.47) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1898637 0.81 POLQ (0.52) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1006911 0.81 ALDH1A1 (0.55) POLBTSHRGAAHSD17B10MAPT

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
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

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 POLB 3571/4885TSHR 134/4885GAA 4077/4885

“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.