SCHEMBL20406355

SCHEMBL20406355

COc1ncccc1-c1cccnc1Oc1ccc(CCOS(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 6/20 0.43
▸ BTK Q06187 1/20 0.37
▸ SCN9A Q15858 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL20394394 0.81 PDE10A (0.44) PDE10AHCAR2
SCHEMBL20394174 0.81 PDE10A (0.47) PDE10A
SCHEMBL20406368 0.80 PDE10A (0.46) PDE10ABTK
SCHEMBL20406361 0.80 PDE10A (0.47) PDE10A
SCHEMBL20394360 0.78 PDE10A (0.45) PDE10A
SCHEMBL20406614 0.78 FFAR1 (0.54) PDE10A
SCHEMBL20394162 0.78 PDE10A (0.49) PDE10ABTK
SCHEMBL20406367 0.78 PDE10A (0.46) PDE10A
SCHEMBL20394343 0.77 PDE10A (0.48) PDE10A
SCHEMBL20394432 0.77 PDE10A (0.44) PDE10ABTK

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-10647675-B2 Biaryl derivative and medicine containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2020-05-12 — — US disclosed
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2019-02-21 — — US disclosed
EP-3351533-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2018-07-25 — — 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 (2 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-10647675-B2 Biaryl derivative and medicine containing same MAN2B1, CBR3, MANBA PDE10A 4605/4885BTK 299/4885SCN9A 2460/4885
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME MAN2B1, CBR3, MANBA PDE10A 4605/4885BTK 299/4885SCN9A 2460/4885

“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.

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