SCHEMBL958844

SCHEMBL958844

COc1cccc(CCOc2cccc(-c3cccc(C(=O)Nc4cc(C)n[nH]4)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.49
MAPT P10636 4/20 0.44
ROCK2 O75116 2/20 0.43
ABCB1 P08183 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GRM5 P41594 1/20 0.42
AURKA O14965 1/20 0.42
CDC7 O00311 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
FLT3 P36888 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 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
SCHEMBL963749 0.84 GPR52 (0.49) GPR52MAPTABCB1SMN1; SMN2GRM5
SCHEMBL958255 0.84 GPR52 (0.56) GPR52MAPTROCK2ABCB1AURKA
SCHEMBL959877 0.83 SMN1; SMN2 (0.50) GPR52ABCB1SMN1; SMN2GRM5AURKA
SCHEMBL959963 0.83 GPR52 (0.49) GPR52MAPTROCK2ABCB1SMN1; SMN2
SCHEMBL959928 0.82 SIRT2 (0.52) GPR52ABCB1GRM5AURKAADORA3
SCHEMBL3402485 0.81 GPR52 (0.61) GPR52MAPTROCK2AURKANPC1
SCHEMBL961206 0.81 GPR52 (0.63) GPR52ROCK2SMN1; SMN2AURKANPC1
SCHEMBL961439 0.81 GPR52 (0.52) GPR52SMN1; SMN2AURKANR1H4RAB9A
SCHEMBL959859 0.81 GPR52 (0.73) GPR52ROCK2AURKAMAP4K4NPC1
SCHEMBL960656 0.80 RAB9A (0.53) GPR52MAPTSMN1; SMN2AURKAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 GPR52 23/4885MAPT 4154/4885ROCK2 1683/4885

“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.