SCHEMBL3204342

SCHEMBL3204342

N#CCCNC(=O)c1cncc(-c2cccc3nn(Cc4cccc(C(F)(F)F)c4)cc23)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 11/20 0.68
PTGER4 P35408 2/20 0.41
KDM1A O60341 1/20 0.37
HDAC1 Q13547 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDK8 P49336 1/20 0.36
CSF1R P07333 1/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL3206470 0.91 GPR52 (0.81) GPR52PTGER4ALDH1A1CDK8
SCHEMBL3219328 0.90 GPR52 (0.83) GPR52PTGER4KDM1AHDAC1
SCHEMBL1856279 0.88 GPR52 (0.77) GPR52PTGER4
SCHEMBL3219790 0.85 GPR52 (0.67) GPR52PTGER4
SCHEMBL3219255 0.84 GPR52 (0.66) GPR52PTGER4ALDH1A1
SCHEMBL1853421 0.84 GPR52 (0.64) GPR52PTGER4
SCHEMBL3216166 0.83 GPR52 (0.61) GPR52PTGER4KDM4E
SCHEMBL3207056 0.81 GPR52 (1.00) GPR52PTGER4ALDH1A1CDK8
SCHEMBL1850771 0.80 GPR52 (0.64) GPR52PTGER4SMN1; SMN2
SCHEMBL1851741 0.80 GPR52 (0.60) GPR52PTGER4KDM4EALDH1A1SMN1; SMN2

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 1/4885PTGER4 888/4885KDM1A 1903/4885

“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.