SCHEMBL19629549

SCHEMBL19629549

N#Cc1cc(Br)cc2c(I)c[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.45
▸ MCL1 Q07820 1/20 0.35
▸ GSK3B P49841 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ DPYD Q12882 1/20 0.31
▸ IMPDH2 P12268 1/20 0.30
▸ IMPDH1 P20839 1/20 0.30

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
SCHEMBL31357890 0.79 DYRK1A (0.45) DYRK1AGSK3BDPYDIMPDH2IMPDH1
SCHEMBL1982604 0.79 DYRK1A (0.40) DYRK1AMCL1GSK3BCHEK1CSNK2A1
SCHEMBL18130749 0.79 DYRK1A (0.40) DYRK1AMCL1GSK3BCHEK1CSNK2A1
SCHEMBL9285107 0.77 GABRA1 (0.39) DYRK1AMCL1CHEK1
SCHEMBL20514353 0.73 GPR84 (0.38) —
SCHEMBL19629565 0.73 NMT1 (0.34) —
SCHEMBL6039638 0.71 DYRK1A (0.66) DYRK1AMCL1GSK3BIMPDH2IMPDH1
SCHEMBL19629508 0.69 EPRS1 (0.30) —
SCHEMBL18130738 0.69 JAK2 (0.43) DYRK1ACHEK1CSNK2A1MAOAMAOB
SCHEMBL3065929 0.69 DYRK1A (0.47) DYRK1AMCL1GSK3BCHEK1CSNK2A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981962-B2 Pyrazole derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 — — US disclosed
US-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 — — 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-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K21 DYRK1A 1349/4885MCL1 505/4885GSK3B 476/4885

“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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