SCHEMBL21672277

SCHEMBL21672277

N#Cc1ccc(-n2cnc3ccc(Br)c(F)c32)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DYRK1A Q13627 2/20 0.40
▸ PRPS1 P60891 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ PAK4 O96013 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33

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
SCHEMBL29392568 1.00 CYP11B2 (0.43) CYP11B2KDM4EALDH1A1L3MBTL1DYRK1A
SCHEMBL21672276 0.81 PRPS1 (0.33) DYRK1APRPS1JAK2JAK3CHEK1
SCHEMBL21644166 0.79 DYRK1A (0.65) CYP11B2KDM4EALDH1A1L3MBTL1DYRK1A
SCHEMBL3854984 0.75 CYP11B2 (0.43) CYP11B2KDM4EALDH1A1L3MBTL1DYRK1A
SCHEMBL3851521 0.72 CYP11B2 (0.43) CYP11B2KDM4EALDH1A1L3MBTL1DYRK1A
SCHEMBL10552778 0.71 POLB (0.55) CYP11B2KDM4EALDH1A1L3MBTL1FGFR1
SCHEMBL1461384 0.67 CYP11B2 (0.49) CYP11B2KDM4EALDH1A1L3MBTL1SMO
SCHEMBL13137285 0.66 DPP4 (0.41) L3MBTL1DYRK1APRPS1DPP4DPP8
SCHEMBL21608349 0.64 CDC7 (0.43) CYP11B2KDM4EALDH1A1L3MBTL1
SCHEMBL10548057 0.63 CYP11B2 (0.64) CYP11B2KDM4EALDH1A1L3MBTL1SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 — — 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-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 CYP11B2 2795/4885KDM4E 2963/4885ALDH1A1 2781/4885

“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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