SCHEMBL3488964

SCHEMBL3488964

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.42
CSNK1D P48730 2/20 0.42
SLC34A1 Q06495 2/20 0.42
NR3C2 P08235 4/20 0.41
PDE2A O00408 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PGR P06401 3/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MAP4K4 O95819 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
P2RX7 Q99572 1/20 0.38
MAPT P10636 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
SCHEMBL3488225 0.92 NR3C2 (0.49) MAPK14CSNK1DSLC34A1NR3C2PGR
SCHEMBL3487983 0.87 NR3C2 (0.38) MAPK14CSNK1DSLC34A1NR3C2PDE2A
SCHEMBL3488750 0.87 PGR (0.47) MAPK14SLC34A1NR3C2PGRALDH1A1
SCHEMBL3488809 0.87 ALDH1A1 (0.39) MAPK14SLC34A1NR3C2PGRALDH1A1
SCHEMBL3489344 0.85 ALDH1A1 (0.38) MAPK14SLC34A1NR3C2PGRALDH1A1
SCHEMBL3488055 0.85 SLC2A1 (0.39) MAPK14CSNK1DSLC34A1NR3C2PGR
SCHEMBL3489977 0.85 ALDH1A1 (0.40) MAPK14NR3C2PDE2APDE4APDE4B
SCHEMBL3488871 0.85 CSNK2A1 (0.41) MAPK14SLC34A1NR3C2PGRALDH1A1
SCHEMBL3488293 0.84 NR3C2 (0.39) MAPK14SLC34A1NR3C2PGRALDH1A1
SCHEMBL3489968 0.84 NR3C2 (0.48) SLC34A1NR3C2PGRALDH1A1GAA

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 MAPK14 646/4885CSNK1D 1821/4885SLC34A1 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.