SCHEMBL21392045

SCHEMBL21392045

COC(=O)c1ccc(-c2cncc(Cl)c2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
DYRK1A Q13627 1/20 0.45
XDH P47989 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
CTPS1 P17812 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL30416332 1.00 CYP11B1 (0.53) CYP11B1CYP11B2MKNK1MKNK2DYRK1A
SCHEMBL25607364 0.85 CYP11B2 (0.55) CYP11B1CYP11B2XDHSLC22A12NPC1
SCHEMBL22924894 0.83 CYP11B1 (0.55) CYP11B1CYP11B2MKNK1MKNK2XDH
SCHEMBL21392046 0.82 CYP11B1 (0.55) CYP11B1CYP11B2DYRK1ACTPS1L3MBTL1
SCHEMBL30416001 0.82 CYP11B1 (0.55) CYP11B1CYP11B2DYRK1ACTPS1L3MBTL1
Potassium Ion SCHEMBL25223649 0.81 CYP11B2 (0.52) CYP11B1CYP11B2MKNK1MKNK2DYRK1A
Potassium Ion SCHEMBL30415284 0.81 CYP11B2 (0.52) CYP11B1CYP11B2MKNK1MKNK2DYRK1A
SCHEMBL18115490 0.80 GABRG2 (0.41) NPC1MAPTNFKB1RAB9ANFKB2
SCHEMBL4967106 0.80 NR4A2 (0.60) CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL21392047 0.79 MKNK1 (0.65) CYP11B1CYP11B2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717465-B1 COMPOUNDS STEP PHARMA S A S (FR) 2026-01-21 EP disclosed
EP-3768674-B1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S A S (FR) 2024-01-03 EP disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20230183229-A1 Compounds SYGNATURE DISCOVERY LIMITED (GB) 2023-06-15 US disclosed
US-20230183229-A1 Compounds SYGNATURE DISCOVERY LIMITED (GB) 2023-06-15 US disclosed
US-20210380575-A1 COMPOUNDS SYGNATURE DISCOVERY LIMITED (GB) 2021-12-09 US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 US disclosed
WO-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO 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 (4 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-20230183229-A1 Compounds UGT1A1, CYP1A1, CYP1B1 CYP11B1 9/4885CYP11B2 10/4885MKNK1 2780/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CYP11B1 10/4885CYP11B2 9/4885MKNK1 2655/4885
US-20210380575-A1 COMPOUNDS UGT1A1, CYP1A1, CYP1B1 CYP11B1 9/4885CYP11B2 10/4885MKNK1 2780/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CYP11B1 10/4885CYP11B2 9/4885MKNK1 2655/4885

“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.