SCHEMBL22730481

SCHEMBL22730481

CC(C)(C)OC(=O)N1CCC(n2cnc(-c3ccccc3)c2-c2ccnc(S(C)(=O)=O)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.51
GPR119 Q8TDV5 3/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
USP30 Q70CQ3 2/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
BRD4 O60885 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42

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
SCHEMBL22730349 0.92 MAPK14 (0.54) MAPK14GPR119EGFRBRD4
SCHEMBL22730317 0.92 MAPK14 (0.51) MAPK14GPR119BRD4
SCHEMBL7891764 0.92 MAPK14 (0.62) MAPK14EGFR
SCHEMBL22730528 0.90 MAPK14 (0.52) MAPK14GPR119EGFRBRD4
SCHEMBL1640742 0.85 MAPK14 (0.57) MAPK14GPR119CKS1BSKP1SKP2
SCHEMBL22730496 0.85 MAPK14 (0.51) MAPK14GPR119CKS1BSKP1SKP2
SCHEMBL1639277 0.83 GPR119 (0.50) MAPK14GPR119CKS1BSKP1SKP2
SCHEMBL22730461 0.81 BRD4 (0.60) MAPK14GPR119BRD4
SCHEMBL22730507 0.80 BRD4 (0.70) MAPK14BRD4
SCHEMBL6950452 0.80 MAPK14 (0.71) MAPK14BRD4

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-20200377474-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-12-03 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-20200377474-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF BRDT, BRD4, BRD3 MAPK14 2751/4885GPR119 1442/4885CKS1B 366/4885

“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.