SCHEMBL3489083

SCHEMBL3489083

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 3/20 0.45
PGR P06401 2/20 0.41
NR3C2 P08235 2/20 0.41
GRM5 P41594 6/20 0.41
MAPK14 Q16539 4/20 0.41
MAPT P10636 2/20 0.40
MAPK13 O15264 2/20 0.40
GCGR P47871 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
PTGS2 P35354 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GALR3 O60755 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC9 Q9UKV0 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
SCHEMBL3489306 0.85 MAPT (0.44) GRM5MAPTKDM4EGALR3HTT
SCHEMBL3488557 0.82 OPRL1 (0.39) SLC34A1PGRNR3C2GRM5MAPT
SCHEMBL3489183 0.82 SMN1; SMN2 (0.48) GRM5MAPTKDM4EGALR3HTT
SCHEMBL4158211 0.81 MAPT (0.49) MAPTKDM4EGALR3HTTSMN1; SMN2
SCHEMBL3488391 0.81 GRM5 (0.42) SLC34A1GRM5MAPTKDM4EGALR3
SCHEMBL3488733 0.80 KDM4C (0.38) MAPTPTGS2KDM4CKDM4ESMN1; SMN2
SCHEMBL3488811 0.79 HTR2A (0.49) SLC34A1MAPK14MAPTMAPK13MAPK12
SCHEMBL3488750 0.79 PGR (0.47) SLC34A1PGRNR3C2MAPK14MAPT
SCHEMBL3488809 0.79 ALDH1A1 (0.39) SLC34A1PGRNR3C2GRM5MAPK14
SCHEMBL13066526 0.79 SLC34A1 (0.51) SLC34A1PGRNR3C2GRM5

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 982/4885PGR 107/4885NR3C2 1/4885

“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.