SCHEMBL3489690

SCHEMBL3489690

Cc1cc(Cn2nc(C)c(Br)c2-c2ccc(F)cc2)no1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.55
GRIN1 Q05586 8/20 0.55
RIPK3 Q9Y572 1/20 0.45
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NR3C2 P08235 1/20 0.39
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3489982 0.79 SLC2A1 (0.54) MAPTTP53NR3C2
SCHEMBL3488053 0.77 NR3C2 (0.52) GRIN2BGRIN1RIPK3TP53ALDH1A1
SCHEMBL3489611 0.76 MAPT (0.52) MAPTALDH1A1NR3C2NPC1L3MBTL1
SCHEMBL3489954 0.76 MAPT (0.39) GRIN2BGRIN1MAPTALDH1A1NR3C2
SCHEMBL3488088 0.76 SLC2A1 (0.50) RIPK3MAPTTP53ALDH1A1NR3C2
SCHEMBL3488270 0.76 PGR (0.49) MAPTALDH1A1NR3C2
SCHEMBL3488787 0.74 NR3C2 (0.50) RIPK3MAPTNR3C2
SCHEMBL3488094 0.74 SLC2A1 (0.40) MAPTTP53ALDH1A1NR3C2
SCHEMBL3488122 0.74 MAPT (0.39) MAPTALDH1A1NR3C2
SCHEMBL3488754 0.74 L3MBTL1 (0.47) MAPTTP53ALDH1A1NR3C2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 GRIN2B 965/4885GRIN1 778/4885RIPK3 2132/4885

“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.