SCHEMBL24815009

SCHEMBL24815009

Cc1cc(C(C)(C)C)n(CC2COCCO2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.36
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ PTGER4 P35408 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL24813943 0.86 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM3CNR1
SCHEMBL24007224 0.85 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM3CNR1
SCHEMBL24007544 0.85 CHRM2 (0.33) MAP3K14CHRM2CHRM4CHRM5CHRM3
SCHEMBL24008003 0.83 PTGER4 (0.30) MAP3K14PTGER4ALDH1A1L3MBTL1
SCHEMBL21961347 0.81 L3MBTL1 (0.40) MAP3K14CHRM2CHRM4CHRM5CHRM3
SCHEMBL24816265 0.80 CNR2 (0.40) MAP3K14CNR1CNR2
SCHEMBL25745822 0.79 MAP3K14 (0.37) MAP3K14CNR1CNR2
SCHEMBL24007024 0.79 CNR1 (0.40) CNR1CNR2ALDH1A1KDM4E
SCHEMBL21960872 0.75 MAP3K14 (0.34) MAP3K14CHRM2CHRM4CHRM5CHRM3
SCHEMBL25745824 0.71 CNR1 (0.41) CNR1CNR2ALDH1A1KDM4E

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-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2023-07-04 — — 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 (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-20220411403-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B MAP3K14 564/4885CHRM2 4880/4885CHRM4 4875/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B MAP3K14 564/4885CHRM2 4880/4885CHRM4 4875/4885

“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.

Send feedback