SCHEMBL1007102

SCHEMBL1007102

Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c(C(N)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
POLB P06746 4/20 0.65
TP53 P04637 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.63
TSHR P16473 3/20 0.63
GAA P10253 1/20 0.61
HSD17B10 Q99714 1/20 0.61
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL1007681 0.90 TP53 (0.64) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL12674148 0.89 MAPT (0.55) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL1007851 0.89 MAPT (0.70) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL1007695 0.87 TP53 (0.80) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL12673975 0.84 MAPT (0.51) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL1894452 0.83 MAPT (0.81) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL12674317 0.81 MAPT (0.48) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL1007707 0.81 POLB (0.81) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL12674197 0.81 SMN1; SMN2 (0.48) MAPTPOLBTP53SMN1; SMN2TSHR
SCHEMBL3453379 0.80 MAPT (0.62) MAPTPOLBTP53SMN1; SMN2TSHR

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
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 MAPT 4623/4885POLB 3571/4885TP53 3973/4885

“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.