SCHEMBL1850139

SCHEMBL1850139

O=C(O)c1cccc(-c2ncnc3cc(Cc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.51
GPR52 Q9Y2T5 5/20 0.49
NR4A2 P43354 2/20 0.47
MRGPRX4 Q96LA9 2/20 0.44
KMO O15229 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
ADORA2A P29274 1/20 0.43
SCD O00767 2/20 0.42
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3209948 0.88 GPR52 (0.48) BRAFGPR52SCDMEN1ALDH1A1
SCHEMBL3219231 0.86 GPR52 (0.69) BRAFGPR52MRGPRX4SCD
SCHEMBL1849738 0.85 GPR52 (0.55) GPR52NR4A2MRGPRX4KMOLIPG
SCHEMBL1849472 0.80 CAMKK2 (0.44) BRAFKMO
SCHEMBL1850856 0.79 GPR52 (0.51) GPR52NR4A2MRGPRX4KDM4CSCD
SCHEMBL1853402 0.79 GPR52 (0.75) GPR52NR4A2ADORA2A
SCHEMBL3198362 0.77 GPR52 (0.61) GPR52NR4A2MRGPRX4LIPGADORA2A
SCHEMBL1848214 0.77 GPR52 (0.74) GPR52NR4A2MRGPRX4LIPGADORA2A
SCHEMBL3210335 0.77 GPR52 (0.58) BRAFGPR52ADORA2ASCD
SCHEMBL1847806 0.77 GPR52 (0.56) GPR52NR4A2MRGPRX4LIPGADORA2A

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
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 BRAF 4083/4885GPR52 1/4885NR4A2 8/4885

“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.