SCHEMBL22102483

SCHEMBL22102483

CC(C)(C)OC(=O)Nc1cc(Br)nn1CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.35
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTGER1 P34995 2/20 0.35
LCK P06239 1/20 0.34
GAA P10253 1/20 0.34
CYP17A1 P05093 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
HDAC8 Q9BY41 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
HDAC2 Q92769 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
NCOR2 Q9Y618 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
SCHEMBL26008895 0.87 CNR1 (0.40) MAPK14PTGDR2HDAC3HDAC1HDAC10
SCHEMBL798842 0.85 GAA (0.49) MAPK14PTGDR2PTGER1GAABRD9
SCHEMBL19271750 0.83 MAPK14 (0.47) MAPK14HDAC3HDAC1LCKCYP17A1
SCHEMBL26003573 0.83 MAPK14 (0.36) MAPK14PTGDR2HDAC3HDAC1HDAC10
SCHEMBL25594883 0.83 MAPK14 (0.39) MAPK14PTGDR2HDAC3HDAC1HDAC10
SCHEMBL172126 0.82 MAPK14 (0.39) MAPK14PTGDR2HDAC3HDAC1HDAC10
SCHEMBL28626032 0.79 ABCB1 (0.38) MAPK14PTGDR2PTGER1GAA
SCHEMBL24035217 0.79 MAPK14 (0.39) MAPK14PTGDR2HDAC3HDAC1PTGER1
SCHEMBL26733944 0.77 KCNJ6 (0.45) MAPK14PTGDR2
SCHEMBL27528629 0.74 PTGDR2 (0.35) MAPK14PTGDR2HDAC3HDAC1HDAC6

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
US-11730720-B2 ALK5 inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-22 US disclosed
WO-2020123453-A2 ALK5 INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-06-18 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 (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-11730720-B2 ALK5 inhibitors ALK, ACVR1, ACVRL1 MAPK14 1090/4885PTGDR2 3256/4885HDAC3 2347/4885

“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.