SCHEMBL24813393

SCHEMBL24813393

CC(C)(C)c1cc(C(C)(C)C)n(C2CCN(CCF)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL26013188 0.93 MAPK13 (0.30) MAPK13MAPK12MAPK11MAPK14
SCHEMBL25745883 0.88 DRD2 (0.39) DRD2DRD3SIGMAR1
SCHEMBL24815007 0.86 DRD2 (0.41) DRD2DRD4DRD3TRPV4HRH3
SCHEMBL24007666 0.85 GAA (0.32) DRD2DRD4DRD3TRPV4HRH3
SCHEMBL24813395 0.83 MAPK13 (0.32) MAPK13MAPK12MAPK11MAPK14DRD2
SCHEMBL25745891 0.83 DRD2 (0.36) DRD2DRD4DRD3SIGMAR1
SCHEMBL25745882 0.82 MAPK13 (0.32) MAPK13MAPK12MAPK11MAPK14DRD2
SCHEMBL15069885 0.81 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14TMEM97
SCHEMBL19954603 0.81 TRPV4 (0.43) DRD2DRD4DRD3TRPV4
SCHEMBL24007665 0.80 SIGMAR1 (0.33) DRD2DRD4DRD3TRPV4TMEM97

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
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 US disclosed
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2022-12-29 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 (3 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-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B MAPK13 319/4885MAPK12 633/4885MAPK11 1334/4885
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B MAPK13 319/4885MAPK12 633/4885MAPK11 1334/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B MAPK13 319/4885MAPK12 633/4885MAPK11 1334/4885

“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.