SCHEMBL21672048

SCHEMBL21672048

CCCCOC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
HIF1A Q16665 3/20 0.41
RAB9A P51151 9/20 0.40
HPGD P15428 6/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
NPC1 O15118 8/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
CASP1 P29466 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL29394284 1.00 L3MBTL1 (0.44) L3MBTL1HIF1ARAB9AHPGDLMNA
SCHEMBL30900153 0.84 DGAT1 (0.47) L3MBTL1HIF1ARAB9AHPGDLMNA
SCHEMBL16923787 0.83 JAK2 (0.43) HIF1AGSK3AGSK3B
SCHEMBL29514396 0.80 GSK3A (0.45) HIF1ARAB9ALMNAGSK3AGSK3B
SCHEMBL1554702 0.80 GSK3A (0.45) HIF1ARAB9ALMNAGSK3AGSK3B
SCHEMBL29393739 0.79 PRMT5 (0.48) HIF1AGSK3AGSK3B
SCHEMBL9979047 0.79 PRMT5 (0.48) HIF1AGSK3AGSK3B
SCHEMBL30231020 0.79 RAB9A (0.56) L3MBTL1RAB9AHPGDLMNAGAA
SCHEMBL626853 0.78 L3MBTL1 (0.44) L3MBTL1HIF1AGAAGSK3AGSK3B
SCHEMBL477041 0.78 HIF1A (0.42) HIF1ARAB9ALMNAGSK3AGSK3B

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
CN-113164476-A Small molecule inhibitor of DYRK1/CLK and application thereof 代表亚利桑那大学的亚利桑那校董会 2021-07-23 CN disclosed
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 L3MBTL1 1490/4885HIF1A 1862/4885RAB9A 4181/4885

“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.