SCHEMBL25745871

SCHEMBL25745871

CC(C)(C)c1cc(C(C)(C)C)n(C2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
MAPK14 Q16539 2/20 0.47
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
NTRK1 P04629 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34
FLT3 P36888 2/20 0.34
HSD11B1 P28845 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HPGD P15428 2/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
BRAF P15056 2/20 0.32
PDE4A P27815 1/20 0.32

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
SCHEMBL24815018 0.98 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL15069885 0.93 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL25745875 0.88 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL19954636 0.85 NR3C2 (0.39) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL24815019 0.85 NTRK1 (0.37) MAPK13MAPK12MAPK11MAPK14NTRK1
SCHEMBL25745873 0.82 MAPK13 (0.33) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL25745817 0.82 KDM4E (0.42) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL26012445 0.81 HSD11B1 (0.38) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL22560184 0.81 TGFBR1 (0.38) MAPK13MAPK12MAPK11MAPK14KDM4E
SCHEMBL18693219 0.81 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14KDM4E

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-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

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-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.