SCHEMBL3489231

SCHEMBL3489231

Cc1ncc(Cn2nc(C)c(Br)c2-c2ccc(F)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SCD O00767 1/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
SLC34A1 Q06495 1/20 0.34
SLC2A1 P11166 1/20 0.34
NR3C2 P08235 4/20 0.33
PGR P06401 2/20 0.33
ADRB2 P07550 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
AR P10275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GRM5 P41594 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL3488781 0.81 MAPT (0.38) MAPTALDH1A1SLC34A1SLC2A1NR3C2
SCHEMBL3488754 0.79 L3MBTL1 (0.47) MAPTALDH1A1NR3C2PGRNR1H2
SCHEMBL3488703 0.79 ALDH1A1 (0.41) MAPTALDH1A1SLC34A1SLC2A1NR3C2
SCHEMBL3489982 0.79 SLC2A1 (0.54) MAPTSLC2A1NR3C2PGRNR1H2
SCHEMBL3489611 0.76 MAPT (0.52) MAPTALDH1A1SLC34A1SLC2A1NR3C2
SCHEMBL3489954 0.76 MAPT (0.39) MAPTALDH1A1GRIN1GRIN2BSLC34A1
SCHEMBL3488088 0.76 SLC2A1 (0.50) MAPTALDH1A1SLC2A1NR3C2PGR
SCHEMBL3488270 0.76 PGR (0.49) MAPTALDH1A1SLC2A1NR3C2PGR
SCHEMBL3488787 0.74 NR3C2 (0.50) MAPTSLC2A1NR3C2PGRNR1H2
SCHEMBL3489605 0.74 SLC2A1 (0.40) MAPTALDH1A1SLC2A1NR3C2PGR

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 1704/4885SCD 4340/4885

“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.