SCHEMBL1006480

SCHEMBL1006480

COC(=O)c1ccnc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
TP53 P04637 3/20 0.53
TSHR P16473 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 2/20 0.52
HSD17B10 Q99714 1/20 0.52
LMNA P02545 5/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 8/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
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
SCHEMBL1006846 0.88 SMN1; SMN2 (0.48) TP53TSHRSMN1; SMN2GAAHSD17B10
SCHEMBL1006791 0.88 LMNA (0.55) TP53TSHRSMN1; SMN2GAAHSD17B10
SCHEMBL8000568 0.86 GRIA2 (0.56) POLBTP53TSHRSMN1; SMN2GAA
SCHEMBL1007662 0.84 POLQ (0.47) POLBTP53TSHRSMN1; SMN2GAA
SCHEMBL1009644 0.83 CYP1A2 (0.46) TP53TSHRSMN1; SMN2GAAHSD17B10
SCHEMBL1007201 0.83 POLB (0.56) POLBTP53TSHRSMN1; SMN2GAA
SCHEMBL1009744 0.83 MAPT (0.52) POLBTP53TSHRGAAHSD17B10
SCHEMBL1007169 0.82 MAPT (0.47) POLBTP53TSHRSMN1; SMN2GAA
SCHEMBL1006657 0.81 MAPT (0.69) POLBTP53TSHRSMN1; SMN2GAA
SCHEMBL1006529 0.81 SMN1; SMN2 (0.49) TP53TSHRSMN1; SMN2GAAHSD17B10

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 POLB 3571/4885TP53 3973/4885TSHR 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.