SCHEMBL4291353

SCHEMBL4291353

Cc1nn(C)c(Br)c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
MAPT P10636 4/20 0.42
MAPK14 Q16539 1/20 0.42
PTGS2 P35354 1/20 0.39
PGR P06401 2/20 0.39
NR3C2 P08235 2/20 0.39
CYP2D6 P10635 1/20 0.39
THRB P10828 1/20 0.39
CDK8 P49336 1/20 0.38
ACVR1 Q04771 1/20 0.38
AR P10275 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL26836390 0.81 MAPT (0.62) MAPTCDK8ACVR1HPGDNPC1
SCHEMBL1719539 0.79 MAPT (0.69) CYP1A2MAPTMAPK14THRBCDK8
SCHEMBL5258835 0.76 MAPK14 (0.69) MAPK14
SCHEMBL3489083 0.75 SLC34A1 (0.45) MAPTMAPK14PTGS2PGRNR3C2
SCHEMBL15952575 0.75 MAPT (0.39) MAPTCDK8ACVR1
SCHEMBL4298340 0.75 CYP1A2 (0.40) CYP1A2MAPTMAPK14PGRNR3C2
SCHEMBL171101 0.74 HSD11B1 (0.47) MAPK14
SCHEMBL18713896 0.69 ATM (0.44) MAPTTHRBCDK8ACVR1HPGD
SCHEMBL19992642 0.69 CYP1A2 (0.54) CYP1A2MAPTMAPK14CYP2D6THRB
SCHEMBL27217295 0.69 KDM4C (0.43) MAPTMAPK14HPGDNPC1RAB9A

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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R CYP1A2 438/4885MAPT 4442/4885MAPK14 468/4885

“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.