SCHEMBL20406109

SCHEMBL20406109

COc1ncccc1-c1cccnc1Oc1ccc(CCc2cn[nH]c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 8/20 0.43
▸ CD274 Q9NZQ7 2/20 0.39
▸ PDCD1LG2 Q9BQ51 1/20 0.39
▸ PDCD1 Q15116 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ NAAA Q02083 1/20 0.38

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
SCHEMBL20406361 0.81 PDE10A (0.47) PDE10A
SCHEMBL20394162 0.79 PDE10A (0.49) PDE10ABTK
SCHEMBL20406576 0.79 PDE1A (0.42) PDE10ACD274PDCD1LG2NAAA
SCHEMBL20406368 0.79 PDE10A (0.46) PDE10ABTK
SCHEMBL20406367 0.79 PDE10A (0.46) PDE10A
SCHEMBL20406107 0.78 HAO1 (0.46) PDE10ABTK
SCHEMBL20406638 0.78 PDE10A (0.43) PDE10ANAAA
SCHEMBL20394291 0.78 GAA (0.45) PDE10ACD274PDCD1NAAA
SCHEMBL20394432 0.78 PDE10A (0.44) PDE10ABTKNAAA
SCHEMBL20394394 0.78 PDE10A (0.44) PDE10A

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 4605/4885CD274 4512/4885PDCD1LG2 4536/4885
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME MAN2B1, CBR3, MANBA PDE10A 4605/4885CD274 4512/4885PDCD1LG2 4536/4885

“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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