SCHEMBL1008025

SCHEMBL1008025

O=C(Nc1cccnc1)c1cccc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.53
TP53 P04637 4/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
EPHX2 P34913 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
CSF1R P07333 2/20 0.46
BRAF P15056 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
THRB P10828 1/20 0.45
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
KIT P10721 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL1006821 0.90 MAPT (0.53) MAPTTP53LMNATSHRHTT
SCHEMBL1006093 0.90 MAPT (0.57) MAPTTP53LMNATSHRCYP1A2
SCHEMBL8003022 0.87 MAPT (0.49) MAPTTP53LMNATSHRKDM4E
SCHEMBL1895488 0.87 MAPT (0.69) MAPTTP53LMNAHTTCYP1A2
SCHEMBL1895722 0.84 MAPT (0.56) MAPTTP53LMNATSHRCYP1A2
SCHEMBL1005209 0.84 MAPT (0.52) MAPTTP53LMNATSHRCYP1A2
SCHEMBL1891273 0.83 SMN1; SMN2 (0.56) MAPTTP53LMNATSHRKDM4E
SCHEMBL1007292 0.82 POLB (0.52) MAPTTP53LMNATSHRKDM4E
SCHEMBL12666779 0.82 POLB (0.52) MAPTTP53LMNATSHRCYP1A2
SCHEMBL1893494 0.82 POLB (0.54) MAPTTP53LMNATSHRCYP1A2

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 5 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
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 4623/4885TP53 3973/4885LMNA 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.