SCHEMBL958148

SCHEMBL958148

CN(C)c1cccc(Oc2cccc(-c3cccc(C(=O)NCCC#N)c3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.42
PRKD1 Q15139 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
MAP4K4 O95819 1/20 0.41
LOXL2 Q9Y4K0 4/20 0.40
LOX P28300 2/20 0.40
GPR52 Q9Y2T5 2/20 0.40
NAMPT P43490 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
GRM5 P41594 1/20 0.38

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
SCHEMBL960449 0.89 PRKD1 (0.45) FYNPRKD1MAP4K4LOXL2LOX
SCHEMBL961353 0.88 MAPT (0.48) FYNPRKD1ABL1BCRLOXL2
SCHEMBL961007 0.86 GPR52 (0.47) FYNPRKD1LOXL2LOXGPR52
SCHEMBL12918976 0.83 GPR52 (0.56) ABL1BCRLOXL2LOXGPR52
SCHEMBL964557 0.83 GPR52 (0.50) FYNPRKD1MAP4K4LOXL2GPR52
SCHEMBL962211 0.83 GPR52 (0.48) FYNPRKD1MAP4K4GPR52POLB
SCHEMBL961343 0.81 PRKD1 (0.42) FYNPRKD1MAP4K4LOXL2GPR52
SCHEMBL958003 0.81 PPARG (0.45) FYNPRKD1MAP4K4LOXL2LOX
SCHEMBL963876 0.80 GPR52 (0.45) FYNPRKD1GPR52NR1H2NR1H3
SCHEMBL958850 0.79 PPARG (0.43) PRKD1MAP4K4GPR52MAPTNR1H2

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 FYN 1882/4885PRKD1 4545/4885ABL1 2661/4885

“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.