SCHEMBL3489611

SCHEMBL3489611

CCn1nc(C)c(Br)c1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PGR P06401 2/20 0.45
NR3C2 P08235 2/20 0.45
GAA P10253 2/20 0.43
SLC34A1 Q06495 1/20 0.40
SLC2A1 P11166 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPK14 Q16539 1/20 0.36
PTGS2 P35354 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35

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
SCHEMBL3488750 0.88 PGR (0.47) MAPTALDH1A1PGRNR3C2GAA
SCHEMBL3489968 0.85 NR3C2 (0.48) MAPTALDH1A1PGRNR3C2GAA
SCHEMBL3488809 0.84 ALDH1A1 (0.39) MAPTALDH1A1PGRNR3C2GAA
SCHEMBL3489982 0.84 SLC2A1 (0.54) MAPTPGRNR3C2SLC2A1KMT2A
SCHEMBL3489563 0.84 SLC34A1 (0.43) MAPTALDH1A1PGRNR3C2GAA
SCHEMBL3489385 0.84 SMPD1 (0.46) MAPTALDH1A1PGRNR3C2SLC34A1
SCHEMBL3487876 0.84 ALDH1A1 (0.39) MAPTALDH1A1NPC1L3MBTL1PGR
SCHEMBL3488055 0.83 SLC2A1 (0.39) MAPTALDH1A1PGRNR3C2GAA
SCHEMBL3488743 0.83 PGR (0.47) MAPTALDH1A1PGRNR3C2GAA
SCHEMBL3488964 0.83 MAPK14 (0.42) MAPTALDH1A1PGRNR3C2GAA

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 MAPT 2903/4885ALDH1A1 1704/4885NPC1 3279/4885

“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.