SCHEMBL3488481

SCHEMBL3488481

Cc1nn(CCc2ccccc2)c(-c2ccc(F)cc2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
PGR P06401 1/20 0.39
NR3C2 P08235 1/20 0.39
AR P10275 1/20 0.39
MAPK14 Q16539 1/20 0.39
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
SLC1A2 P43004 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL3488270 0.86 PGR (0.49) MEN1KMT2APGRNR3C2AR
SCHEMBL3488809 0.82 ALDH1A1 (0.39) PTGS2PGRNR3C2ARMAPK14
SCHEMBL3488750 0.82 PGR (0.47) PGRNR3C2ARMAPK14MAPT
SCHEMBL3488645 0.81 SLC34A1 (0.43) MEN1KMT2APGRNR3C2AR
SCHEMBL3489344 0.81 ALDH1A1 (0.38) PTGS2PGRNR3C2ARMAPK14
SCHEMBL3488055 0.81 SLC2A1 (0.39) PTGS2PGRNR3C2ARMAPK14
SCHEMBL3488964 0.81 MAPK14 (0.42) PGRNR3C2MAPK14MAPTALDH1A1
SCHEMBL3489023 0.81 KCNA5 (0.39) PTGS2ATMPGRNR3C2AR
SCHEMBL3488562 0.81 SLC34A1 (0.43) MEN1KMT2A
SCHEMBL3488293 0.80 NR3C2 (0.39) PTGS2PGRNR3C2ARMAPK14

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 PTGS2 737/4885MEN1 510/4885KMT2A 2289/4885

“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.