SCHEMBL21644162

SCHEMBL21644162

CC1(C)OB(c2ccc(CN3CCCCC3)c(F)c2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ROCK1 Q13464 1/20 0.51
ALDH1A1 P00352 4/20 0.47
LPL P06858 3/20 0.40
LIPG Q9Y5X9 3/20 0.40
HRH3 Q9Y5N1 3/20 0.39
HTT P42858 1/20 0.39
CXCR3 P49682 4/20 0.38
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2A13 Q16696 1/20 0.35

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
SCHEMBL19211744 0.99 KDM4E (0.52) KDM4ESMN1; SMN2ROCK1ALDH1A1LPL
SCHEMBL428922 0.88 CYP2A13 (0.50) KDM4ESMN1; SMN2ROCK1ALDH1A1LPL
SCHEMBL18579955 0.88 ROCK1 (0.53) KDM4ESMN1; SMN2ROCK1ALDH1A1LPL
SCHEMBL34461817 0.88 ALDH1A1 (0.44) KDM4ESMN1; SMN2ROCK1ALDH1A1LPL
SCHEMBL3264764 0.87 ROCK1 (0.52) KDM4ESMN1; SMN2ROCK1ALDH1A1LPL
SCHEMBL20198185 0.87 ROCK1 (0.49) KDM4ESMN1; SMN2ROCK1ALDH1A1LPL
SCHEMBL3264221 0.87 ROCK1 (0.49) KDM4ESMN1; SMN2ROCK1LPLLIPG
SCHEMBL18580183 0.87 ROCK1 (0.45) KDM4ESMN1; SMN2ROCK1ALDH1A1CXCR3
SCHEMBL2798956 0.85 ROCK1 (0.50) KDM4ESMN1; SMN2ROCK1ALDH1A1LPL
SCHEMBL20680449 0.85 ROCK1 (0.47) KDM4ESMN1; SMN2ROCK1ALDH1A1LPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-20 US disclosed
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2025-02-13 US disclosed
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2024-08-06 US disclosed
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-02-10 US disclosed
EP-3856186-A1 SMALL MOLECULE INHIBITORS OF DYRK1/CLK AND USES THEREOF Arizona Board of Regents on behalf of the University of Arizona (US) 2021-08-04 EP disclosed
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
WO-2020069418-A1 SMALL MOLECULE INHIBITORS OF DYRK1/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-04-02 WO 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 (5 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-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK3, CLK2, CLK1 KDM4E 2135/4885SMN1; SMN2 3372/4885ROCK1 1035/4885
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 KDM4E 2963/4885SMN1; SMN2 4476/4885ROCK1 1686/4885
US-20220041590-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 KDM4E 2963/4885SMN1; SMN2 4476/4885ROCK1 1686/4885
US-12054483-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK2, CLK1, CLK3 KDM4E 2963/4885SMN1; SMN2 4476/4885ROCK1 1686/4885
US-20250051325-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 KDM4E 2963/4885SMN1; SMN2 4476/4885ROCK1 1686/4885

“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.