SCHEMBL3489593

SCHEMBL3489593

Cc1nn(Cc2cccnc2)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.53
NR3C2 P08235 1/20 0.53
GRIN2B Q13224 8/20 0.46
GRIN1 Q05586 7/20 0.46
P2RX7 Q99572 3/20 0.44
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
SLC2A1 P11166 1/20 0.39

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
SCHEMBL3488270 0.86 PGR (0.49) PGRNR3C2ALDH1A1LMNANR1H2
SCHEMBL3488787 0.85 NR3C2 (0.50) PGRNR3C2P2RX7NR1H2NR1H3
SCHEMBL3489982 0.84 SLC2A1 (0.54) PGRNR3C2NR1H2NR1H3SLC2A1
SCHEMBL3488088 0.81 SLC2A1 (0.50) PGRNR3C2ALDH1A1LMNATSHR
SCHEMBL3488481 0.79 PTGS2 (0.43) PGRNR3C2ALDH1A1
SCHEMBL3487850 0.78 GRIN1 (0.44) GRIN2BGRIN1NR1H2NR1H3SLC2A1
SCHEMBL3488302 0.77 MAPK14 (0.44) PGRNR3C2GRIN2BGRIN1ALDH1A1
SCHEMBL3488053 0.77 NR3C2 (0.52) NR3C2GRIN2BGRIN1P2RX7ALDH1A1
SCHEMBL3489605 0.77 SLC2A1 (0.40) PGRNR3C2ALDH1A1NR1H2NR1H3
SCHEMBL3488094 0.77 SLC2A1 (0.40) PGRNR3C2ALDH1A1LMNANR1H2

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 PGR 107/4885NR3C2 1/4885GRIN2B 965/4885

“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.