SCHEMBL21797182

SCHEMBL21797182

CC(C)(C)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(NC(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.53
MAPK13 O15264 2/20 0.53
MAPK12 P53778 2/20 0.53
MAPK11 Q15759 2/20 0.53
BRD4 O60885 2/20 0.45
BRDT Q58F21 2/20 0.45
BRD2 P25440 1/20 0.45
BRD3 Q15059 1/20 0.45
NR3C2 P08235 1/20 0.44

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
SCHEMBL20550771 0.86 NR3C2 (0.57) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL23795665 0.85 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL30033506 0.84 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL20550934 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL20550768 0.82 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL21797184 0.81 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL28400055 0.80 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11BRDT
SCHEMBL20550878 0.79 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL20551168 0.79 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL20550529 0.78 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11BRD4

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-20200079757-A1 COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES THE UNIVERSITY OF MELBOURNE (AU) 2020-03-12 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-20200079757-A1 COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES LTC4S, LTB4R2, LTB4R MAPK14 4326/4885MAPK13 3615/4885MAPK12 3309/4885

“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.