SCHEMBL20406344

SCHEMBL20406344

C#Cc1cccnc1Oc1ccc(C(C)(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ DRD1 P21728 1/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL20406342 0.82 — —
SCHEMBL20406568 0.81 DRD1 (0.38) ALDH1A1MAPTATMDRD1MEN1
SCHEMBL20406170 0.80 PDE10A (0.39) ALDH1A1MAPTATMDRD1MEN1
SCHEMBL20394334 0.79 PDE10A (0.37) ALDH1A1MAPTATM
SCHEMBL18661513 0.78 PDE10A (0.42) —
SCHEMBL20406785 0.74 DRD1 (0.38) MAPTDRD1
SCHEMBL18661516 0.74 PDE10A (0.45) ALDH1A1MEN1KMT2A
SCHEMBL20394241 0.73 DRD1 (0.37) DRD1P2RY1P2RY14
SCHEMBL20394221 0.73 FEN1 (0.39) —
SCHEMBL20394327 0.73 CYP17A1 (0.38) DRD1

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 ALDH1A1 2994/4885MAPT 4703/4885ATM 3330/4885
US-20190055199-A1 BIARYL DERIVATIVE AND MEDICINE CONTAINING SAME MAN2B1, CBR3, MANBA ALDH1A1 2994/4885MAPT 4703/4885ATM 3330/4885

“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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