SCHEMBL1006501

SCHEMBL1006501

CN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLQ O75417 7/20 1.00
POLB P06746 3/20 0.70
LMNA P02545 3/20 0.62
TSHR P16473 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GAA P10253 2/20 0.58
HSD17B10 Q99714 1/20 0.56
MAPT P10636 1/20 0.55
KCNJ2 P63252 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TP53 P04637 1/20 0.55
KDM4E B2RXH2 1/20 0.55

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
SCHEMBL1005376 0.85 POLB (0.96) POLQPOLBLMNATSHRNPSR1
SCHEMBL1007218 0.84 POLB (0.73) POLQPOLBLMNATSHRNPSR1
SCHEMBL1007308 0.83 POLB (1.00) POLQPOLBLMNATSHRNPSR1
SCHEMBL1006932 0.82 POLB (0.77) POLQPOLBLMNATSHRNPSR1
SCHEMBL1007585 0.82 POLB (0.76) POLQPOLBLMNATSHRNPSR1
SCHEMBL18317307 0.80 POLQ (0.66) POLQPOLBLMNATSHRGAA
SCHEMBL18317310 0.80 POLQ (0.66) POLQPOLBLMNATSHRGAA
SCHEMBL18328256 0.80 POLQ (0.65) POLQPOLBLMNATSHRNPSR1
SCHEMBL18328182 0.80 POLQ (0.65) POLQPOLBLMNATSHRNPSR1
SCHEMBL18317491 0.78 POLQ (0.63) POLQPOLBLMNATSHRGAA

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 2 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
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 3571/4885LMNA 4015/4885

“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.