SCHEMBL24816265

SCHEMBL24816265

Cc1cc(C(C)(C)C)n(CC2CCOC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ PIK3CA P42336 2/20 0.36
▸ MAP3K14 Q99558 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ TDO2 P48775 2/20 0.34
▸ MAP3K12 Q12852 3/20 0.33
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BCR P11274 1/20 0.32
▸ CHUK O15111 1/20 0.32
▸ ADORA3 P0DMS8 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
SCHEMBL24007024 0.88 CNR1 (0.40) CNR2CNR1
SCHEMBL24816274 0.86 CNR2 (0.40) CNR2CNR1PIK3CACYP11B2CYP1A2
SCHEMBL24007674 0.85 CNR2 (0.39) CNR2CNR1PIK3CACYP11B2TDO2
SCHEMBL26013186 0.85 CNR2 (0.39) CNR2CNR1PIK3CACYP11B2CYP1A2
SCHEMBL24007937 0.82 CNR2 (0.36) CNR2CNR1PIK3CACYP11B2CYP1A2
SCHEMBL25745815 0.81 CNR1 (0.47) CNR2CNR1
SCHEMBL21960359 0.80 PIK3CA (0.45) PIK3CAMAP3K14CYP11B2CYP1A2CYP2C9
SCHEMBL24815009 0.80 MAP3K14 (0.36) CNR2CNR1MAP3K14
SCHEMBL25745792 0.79 CRHR1 (0.39) CNR2CNR1MAP3K14
SCHEMBL25745824 0.78 CNR1 (0.41) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 CNR2 3981/4885CNR1 4118/4885PIK3CA 147/4885

“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.

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