SCHEMBL1008036

SCHEMBL1008036

CN(C)CC(NC(=O)c1ccnc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.48
POLB P06746 3/20 0.45
TSHR P16473 4/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRIA2 P42262 1/20 0.40

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
SCHEMBL1006846 0.86 SMN1; SMN2 (0.48) TSHRGAAHSD17B10MAPTLMNA
SCHEMBL1009744 0.82 MAPT (0.52) POLQPOLBTSHRGAAHSD17B10
SCHEMBL1006154 0.82 POLQ (0.47) POLQPOLBTSHRGAAHSD17B10
SCHEMBL1008311 0.81 POLQ (0.61) POLQPOLBTSHRGAAHSD17B10
SCHEMBL1009850 0.80 POLQ (0.47) POLQPOLBTSHRGAAHSD17B10
SCHEMBL8000568 0.80 GRIA2 (0.56) POLQPOLBTSHRGAAHSD17B10
SCHEMBL1006791 0.80 LMNA (0.55) POLQTSHRGAAHSD17B10MAPT
SCHEMBL1006480 0.78 POLB (0.53) POLBTSHRGAAHSD17B10MAPT
SCHEMBL1009644 0.78 CYP1A2 (0.46) TSHRGAAHSD17B10MAPTLMNA
SCHEMBL1008084 0.78 POLQ (0.52) POLQPOLBTSHRGAAHSD17B10

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 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.