SCHEMBL3198028

SCHEMBL3198028

Cn1c(Cc2cccc(C(F)(F)F)c2)nc2c(-c3cccc(C(=O)NCCC#N)c3)cccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.53
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CDK8 P49336 1/20 0.41
ROCK2 O75116 1/20 0.41
GRK2 P25098 1/20 0.41
PRKD1 Q15139 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
SCHEMBL3208848 0.90 GPR52 (0.64) GPR52ALDH1A1POLBCDK8
SCHEMBL13489412 0.89 GPR52 (0.64) GPR52ROCK2
SCHEMBL1851314 0.84 ACSL1 (0.47) GPR52ALDH1A1
SCHEMBL1854536 0.82 GPR52 (0.57) GPR52ALDH1A1POLBCDK8
SCHEMBL1850688 0.80 GPR52 (0.81) GPR52ALDH1A1POLBCDK8
SCHEMBL3206733 0.78 GPR52 (0.56) GPR52ALDH1A1POLB
SCHEMBL1856214 0.78 GPR52 (0.50) GPR52CDK8
SCHEMBL3219273 0.78 GPR52 (0.63) GPR52ALDH1A1POLBCDK8
SCHEMBL1846506 0.78 GPR52 (0.81) GPR52ALDH1A1POLBCDK8
SCHEMBL1855630 0.78 GPR52 (0.56) GPR52ALDH1A1POLBCDK8

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-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US claimed
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 1/4885ALDH1A1 2005/4885POLB 4067/4885

“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.