SCHEMBL3489008

SCHEMBL3489008

Cc1nn(CC2CCC(=O)CC2)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 12/20 0.41
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
PTGS2 P35354 2/20 0.38
PGR P06401 2/20 0.37
NR3C2 P08235 2/20 0.37
ALDH1A1 P00352 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL3488740 0.90 SLC34A1 (0.47) SLC34A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3488991 0.88 SLC34A1 (0.43) SLC34A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3488535 0.84 CDC7 (0.45) SLC34A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3489022 0.84 SLC34A1 (0.43) SLC34A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3488169 0.84 SLC34A1 (0.41) SLC34A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3488824 0.81 ALDH1A1 (0.36) SLC34A1MAPK14PGRNR3C2ALDH1A1
SCHEMBL3490548 0.81 ALDH1A1 (0.36) SLC34A1MAPK14PGRNR3C2ALDH1A1
SCHEMBL3489948 0.80 SLC34A1 (0.40) SLC34A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3490298 0.79 SLC34A1 (0.38) SLC34A1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3488163 0.78 PTGS1 (0.41) SLC34A1PTGS2PGRNR3C2ALDH1A1

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 SLC34A1 982/4885MAPK14 646/4885MAPK13 334/4885

“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.