SCHEMBL20406168

SCHEMBL20406168

COc1ccncc1-c1cccnc1Oc1cnc(C(F)(F)F)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 5/20 0.47
▸ CYP17A1 P05093 2/20 0.41
▸ PPP1CA P62136 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GPBAR1 Q8TDU6 4/20 0.39
▸ KDR P35968 2/20 0.39
▸ TEK Q02763 2/20 0.39
▸ DRD1 P21728 2/20 0.38
▸ SLC22A12 Q96S37 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
SCHEMBL18661464 0.90 KMT2A (0.43) PDE10APPP1CAKMT2ADRD1
SCHEMBL20406574 0.89 DRD1 (0.40) PDE10ACYP17A1GPBAR1KDRTEK
SCHEMBL20406667 0.87 DRD1 (0.42) PDE10APPP1CAKMT2AGPBAR1DRD1
SCHEMBL20394443 0.84 DRD1 (0.39) PDE10APPP1CAKMT2AGPBAR1KDR
SCHEMBL20406580 0.83 GPBAR1 (0.40) PDE10APPP1CAKMT2AGPBAR1DRD1
SCHEMBL20394477 0.83 PDE10A (0.53) PDE10AKMT2ADRD1
SCHEMBL18661521 0.83 PDE10A (0.56) PDE10AGPBAR1KDRTEK
SCHEMBL18661462 0.83 GPBAR1 (0.39) PDE10APPP1CAKMT2AGPBAR1DRD1
SCHEMBL18661506 0.82 PDE10A (0.51) PDE10ACYP17A1GPBAR1SLC22A12
SCHEMBL20406584 0.82 GPBAR1 (0.41) PDE10AGPBAR1DRD1

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 4605/4885CYP17A1 122/4885PPP1CA 3336/4885
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME MAN2B1, CBR3, MANBA PDE10A 4605/4885CYP17A1 122/4885PPP1CA 3336/4885

“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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