SCHEMBL23637704

SCHEMBL23637704

CC(C)(C)OC(=O)Nc1ccc(CCc2ccnc(N)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.47
MAPK14 Q16539 15/20 0.46
MAPK13 O15264 3/20 0.43
NR3C2 P08235 1/20 0.41
KCNQ4 P56696 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
AAK1 Q2M2I8 1/20 0.41

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
SCHEMBL23637703 0.85 MAPK14 (0.59) CYP17A1MAPK14MAPK13NR3C2
SCHEMBL2858354 0.81 MAPK14 (0.63) CYP17A1MAPK14MAPK13
SCHEMBL16245955 0.81 CYP17A1 (0.48) CYP17A1MAPK14KCNQ4KCNQ5
SCHEMBL16246161 0.80 CYP17A1 (0.47) CYP17A1MAPK14KCNQ4KCNQ5
SCHEMBL29468015 0.80 CYP17A1 (0.49) CYP17A1KCNQ4KCNQ5AAK1
SCHEMBL28207323 0.78 CYP17A1 (0.50) CYP17A1MAPK14KCNQ4KCNQ5AAK1
SCHEMBL3832059 0.77 KCNQ4 (0.50) CYP17A1KCNQ4KCNQ5AAK1
SCHEMBL23201680 0.77 MAPK14 (0.78) MAPK14MAPK13
SCHEMBL23201664 0.77 MAPK14 (0.77) MAPK14MAPK13
SCHEMBL1137136 0.76 CYP17A1 (0.47) CYP17A1MAPK14AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219489-A2 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF Washington University (US) 2023-08-02 EP disclosed
US-20230192728-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2023-06-22 US disclosed
US-20210214378-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2021-07-15 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 (2 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-20230192728-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF MAPK13, MAPK12, MAP3K13 CYP17A1 2411/4885MAPK14 4/4885MAPK13 1/4885
US-20210214378-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF MAPK13, MAPK12, MAP3K13 CYP17A1 2411/4885MAPK14 4/4885MAPK13 1/4885

“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.