SCHEMBL3490127

SCHEMBL3490127

Cc1nn(CCN(C)C)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
SLC34A1 Q06495 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PGR P06401 2/20 0.35
NR3C2 P08235 2/20 0.35
SLC2A1 P11166 1/20 0.35
MAPK14 Q16539 4/20 0.34
MAPK13 O15264 3/20 0.34
MAPK12 P53778 3/20 0.34
MAPK11 Q15759 3/20 0.34

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
SCHEMBL3488809 0.84 ALDH1A1 (0.39) ALDH1A1SLC34A1MAPTGAAPGR
SCHEMBL3488750 0.84 PGR (0.47) ALDH1A1HPGDSLC34A1MAPTGAA
SCHEMBL3488055 0.83 SLC2A1 (0.39) ALDH1A1SLC34A1MAPTGAAPGR
SCHEMBL3489344 0.83 ALDH1A1 (0.38) ALDH1A1SLC34A1MAPTGAAPGR
SCHEMBL3488964 0.83 MAPK14 (0.42) P2RX7ALDH1A1SLC34A1MAPTGAA
SCHEMBL3488293 0.82 NR3C2 (0.39) ALDH1A1SLC34A1MAPTGAAPGR
SCHEMBL3489968 0.82 NR3C2 (0.48) ALDH1A1SLC34A1MAPTGAAPGR
SCHEMBL3489611 0.81 MAPT (0.52) ALDH1A1KDM4ETSHRSLC34A1MAPT
SCHEMBL3488338 0.81 ALDH1A1 (0.41) ALDH1A1SLC34A1MAPTGAAPGR
SCHEMBL3490106 0.81 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDTSHRHSD17B10

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 2 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

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 P2RX7 323/4885ALDH1A1 1704/4885KDM4E 3578/4885

“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.