SCHEMBL8003022

SCHEMBL8003022

O=C(Nc1cccnc1)c1ccnc(Cn2nc(C(F)(F)F)c3c2CCCC3)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.49
▸ TP53 P04637 4/20 0.49
▸ LMNA P02545 4/20 0.49
▸ THRB P10828 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 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
SCHEMBL1009744 0.91 MAPT (0.52) MAPTTP53LMNATHRBTSHR
SCHEMBL1008025 0.87 MAPT (0.53) MAPTTP53LMNATHRBTSHR
SCHEMBL1006846 0.82 SMN1; SMN2 (0.48) MAPTTP53LMNATSHRGAA
SCHEMBL1007169 0.82 MAPT (0.47) MAPTTP53LMNATSHRGAA
SCHEMBL1005501 0.82 LMNA (0.45) MAPTTP53LMNATHRBTSHR
SCHEMBL1007292 0.81 POLB (0.52) MAPTTP53LMNATHRBTSHR
SCHEMBL1006791 0.81 LMNA (0.55) MAPTTP53LMNATHRBTSHR
SCHEMBL1009644 0.81 CYP1A2 (0.46) MAPTTP53LMNATHRBTSHR
SCHEMBL1007979 0.80 RAB9A (0.53) MAPTTP53LMNATSHRGAA
SCHEMBL1006480 0.80 POLB (0.53) MAPTTP53LMNATSHRGAA

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 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.

Send feedback