SCHEMBL3487876

SCHEMBL3487876

CCC(CC)Cn1nc(C)c(Br)c1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
SLC34A1 Q06495 7/20 0.37
PGR P06401 3/20 0.37
NR3C2 P08235 3/20 0.37
AR P10275 1/20 0.37
SLC2A1 P11166 1/20 0.35
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL3488513 0.88 ALDH1A1 (0.39) ALDH1A1MAPTSLC34A1PGRNR3C2
SCHEMBL3488119 0.88 CSNK2A1 (0.43) ALDH1A1MAPTSLC34A1PGRNR3C2
SCHEMBL3489563 0.87 SLC34A1 (0.43) ALDH1A1MAPTSLC34A1PGRNR3C2
SCHEMBL3488743 0.86 PGR (0.47) ALDH1A1MAPTSLC34A1PGRNR3C2
SCHEMBL3489611 0.84 MAPT (0.52) ALDH1A1MAPTSLC34A1PGRNR3C2
SCHEMBL3488750 0.81 PGR (0.47) ALDH1A1MAPTSLC34A1PGRNR3C2
SCHEMBL3488030 0.81 NR3C2 (0.38) ALDH1A1MAPTSLC34A1PGRNR3C2
SCHEMBL3489455 0.80 ALDH1A1 (0.38) ALDH1A1MAPTSLC34A1PGRNR3C2
SCHEMBL3489968 0.79 NR3C2 (0.48) ALDH1A1MAPTSLC34A1PGRNR3C2
SCHEMBL3489982 0.78 SLC2A1 (0.54) MAPTPGRNR3C2ARSLC2A1

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 ALDH1A1 1704/4885MAPT 2903/4885SLC34A1 982/4885

“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.