SCHEMBL1009850

SCHEMBL1009850

CN(C)CC(NC(=O)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.47
POLB P06746 4/20 0.44
TSHR P16473 4/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNJ2 P63252 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1007241 0.84 LMNA (0.47) POLBTSHRGAAHSD17B10LMNA
SCHEMBL8000406 0.82 MAPT (0.53) POLQPOLBTSHRGAAHSD17B10
SCHEMBL1008311 0.81 POLQ (0.61) POLQPOLBTSHRGAAHSD17B10
SCHEMBL1008036 0.80 POLQ (0.48) POLQPOLBTSHRGAAHSD17B10
SCHEMBL1009148 0.79 GRIA2 (0.49) POLQPOLBTSHRGAALMNA
SCHEMBL1007215 0.78 LMNA (0.56) POLQPOLBTSHRGAALMNA
SCHEMBL1008084 0.77 POLQ (0.52) POLQPOLBTSHRGAAHSD17B10
SCHEMBL1007919 0.77 LMNA (0.47) TSHRGAALMNATP53NPSR1
SCHEMBL1006154 0.77 POLQ (0.47) POLQPOLBTSHRGAAHSD17B10
SCHEMBL1005358 0.76 LMNA (0.48) POLQPOLBTSHRGAALMNA

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 POLQ 3429/4885POLB 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.