SCHEMBL1009646

SCHEMBL1009646

Cn1ccc(NC(=O)c2ccccc2Cn2nc(C(F)(F)F)c3c2CCCC3)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 2/20 0.50
GAA P10253 2/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 6/20 0.48
POLQ O75417 1/20 0.48
LMNA P02545 4/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL1006940 0.85 POLB (0.56) POLBTP53SMN1; SMN2TSHRGAA
SCHEMBL1895205 0.85 POLB (0.58) POLBTP53SMN1; SMN2TSHRGAA
SCHEMBL1009563 0.85 POLB (0.56) POLBTP53SMN1; SMN2TSHRGAA
SCHEMBL8003781 0.85 POLB (0.61) POLBTP53SMN1; SMN2TSHRGAA
SCHEMBL1894182 0.83 POLB (0.59) POLBTP53SMN1; SMN2TSHRGAA
SCHEMBL1007124 0.83 POLB (0.54) POLBTP53SMN1; SMN2TSHRGAA
SCHEMBL1895799 0.82 SMN1; SMN2 (0.56) POLBTP53SMN1; SMN2TSHRGAA
SCHEMBL1062772 0.82 MAPT (0.51) POLBTP53SMN1; SMN2TSHRGAA
SCHEMBL1007401 0.81 POLB (0.69) POLBTP53SMN1; SMN2TSHRGAA
SCHEMBL1008072 0.81 POLQ (0.59) POLBTP53SMN1; SMN2TSHRGAA

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 4 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
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 POLB 3571/4885TP53 3973/4885SMN1; SMN2 3616/4885

“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.