SCHEMBL24815019

SCHEMBL24815019

CC(C)(C)c1cc(C(C)(C)C)n(C2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.37
CNR2 P34972 4/20 0.37
CNR1 P21554 2/20 0.37
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
TGFBR1 P36897 6/20 0.34
SSTR4 P31391 1/20 0.34
FPR1 P21462 1/20 0.34
PDE4D Q08499 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
LMNA P02545 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
SCHEMBL24813965 0.91 CNR2 (0.37) NTRK1CNR2CNR1MAPK13MAPK12
SCHEMBL24813966 0.89 TGFBR1 (0.39) NTRK1CNR2CNR1MAPK13MAPK12
SCHEMBL19954631 0.89 TGFBR1 (0.43) NTRK1CNR2CNR1TGFBR1SSTR4
SCHEMBL15069885 0.88 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14
SCHEMBL26013105 0.86 CNR2 (0.39) NTRK1CNR2CNR1MAPK13MAPK12
SCHEMBL25745871 0.85 MAPK13 (0.47) NTRK1CNR2CNR1MAPK13MAPK12
SCHEMBL19953969 0.84 TGFBR1 (0.40) CNR2CNR1TGFBR1SSTR4PDE4D
SCHEMBL24815018 0.83 MAPK13 (0.49) NTRK1CNR2CNR1MAPK13MAPK12
SCHEMBL13860456 0.83 KDM4E (0.39) NTRK1CNR2CNR1MAPK13MAPK12
SCHEMBL24007275 0.83 RET (0.34) CNR2CNR1SSTR4PDE4D

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 NTRK1 4052/4885CNR2 3981/4885CNR1 4118/4885
US-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B NTRK1 4052/4885CNR2 3981/4885CNR1 4118/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B NTRK1 4052/4885CNR2 3981/4885CNR1 4118/4885

“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.