SCHEMBL1007662

SCHEMBL1007662

CCN(CC)C(=O)c1ccnc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 8/20 0.46
TSHR P16473 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 2/20 0.45
CYP2D6 P10635 2/20 0.45
GRIA2 P42262 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2C9 P11712 1/20 0.44
TP53 P04637 2/20 0.43

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
SCHEMBL8000568 0.90 GRIA2 (0.56) POLQLMNAMAPTTSHRGAA
SCHEMBL1006791 0.86 LMNA (0.55) POLQLMNAMAPTTSHRGAA
SCHEMBL1006480 0.84 POLB (0.53) LMNAMAPTTSHRGAANPSR1
SCHEMBL1006841 0.83 POLB (0.51) POLQLMNAMAPTTSHRGAA
SCHEMBL1006846 0.83 SMN1; SMN2 (0.48) LMNAMAPTTSHRGAANPSR1
SCHEMBL1009644 0.80 CYP1A2 (0.46) LMNAMAPTTSHRGAANPSR1
SCHEMBL1009744 0.79 MAPT (0.52) POLQLMNAMAPTTSHRGAA
SCHEMBL1007169 0.79 MAPT (0.47) LMNAMAPTTSHRGAACYP1A2
SCHEMBL1006529 0.78 SMN1; SMN2 (0.49) LMNAMAPTTSHRGAANPSR1
SCHEMBL1007814 0.78 LMNA (0.50) LMNAMAPTTSHRGAANPSR1

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 3429/4885LMNA 4015/4885MAPT 4623/4885

“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.