SCHEMBL962103

SCHEMBL962103

CCOC(=O)c1cccc(-c2cccc(NCCc3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.51
SYK P43405 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
CDK8 P49336 1/20 0.43
BRAF P15056 1/20 0.43
USP2 O75604 2/20 0.43
CYP3A4 P08684 2/20 0.43
NR1I2 O75469 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL958593 0.87 GPR52 (0.53) GPR52MEN1KMT2ACDK8BRAF
SCHEMBL962167 0.83 GPR52 (0.71) GPR52CDK8ALDH1A1
SCHEMBL30786693 0.73 CES2 (0.61) MEN1MAPTKMT2ACYP4F2CYP4A11
SCHEMBL1994068 0.73 CES2 (0.61) MEN1MAPTKMT2ACYP4F2CYP4A11
SCHEMBL5179212 0.73 THRB (0.56) MEN1MAPTKMT2ACYP1A2CYP2C9
SCHEMBL798802 0.72 THRB (0.60) MEN1KMT2ATHRBKDM4EALDH1A1
SCHEMBL1553909 0.72 PIK3CA (0.52) MAPTBRAFTHRBKDM4ECNR1
SCHEMBL2858900 0.72 ALDH1A1 (0.51) GPR52SYKMEN1MAPTKMT2A
SCHEMBL1850704 0.72 GPR52 (0.60) GPR52MEN1MAPTKMT2ACYP4F2
SCHEMBL1851926 0.71 GPR52 (0.51) GPR52MEN1MAPTKMT2AALDH1A1

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 2 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
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 23/4885SYK 1390/4885MEN1 4161/4885

“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.