SCHEMBL3209747

SCHEMBL3209747

N#CCCNC(=O)c1cccc(-c2cccc3nc(Cc4cccc(C(F)(F)F)c4)cn23)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 12/20 0.47
CDK8 P49336 1/20 0.42
RAD52 P43351 3/20 0.42
PAX8 Q06710 2/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3215890 0.83 GPR52 (0.49) GPR52
SCHEMBL3208716 0.82 RAD52 (0.41) GPR52CDK8RAD52PAX8ALDH1A1
SCHEMBL1856214 0.81 GPR52 (0.50) GPR52CDK8
SCHEMBL1852034 0.79 MAPT (0.43) GPR52ALDH1A1
SCHEMBL1846506 0.75 GPR52 (0.81) GPR52CDK8ALDH1A1POLB
SCHEMBL3198028 0.75 GPR52 (0.53) GPR52CDK8ALDH1A1POLB
SCHEMBL1854536 0.74 GPR52 (0.57) GPR52CDK8ALDH1A1POLB
SCHEMBL1853913 0.74 GPR52 (0.62) GPR52CDK8
SCHEMBL1852406 0.74 GPR52 (0.66) GPR52CDK8
SCHEMBL1850688 0.74 GPR52 (0.81) GPR52CDK8ALDH1A1POLB

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-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US 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 GPR52 1/4885CDK8 3401/4885RAD52 2079/4885

“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.