SCHEMBL24816259

SCHEMBL24816259

Cc1cc(C(C)(C)C#N)n(C2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.38
CNR1 P21554 2/20 0.38
TGFBR1 P36897 1/20 0.37
PDE4D Q08499 1/20 0.36
MAP3K14 Q99558 1/20 0.35
KCNJ6 P48051 2/20 0.35
KCNJ5 P48544 2/20 0.35
KCNJ3 P48549 2/20 0.35
LRRK2 Q5S007 5/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
SSTR4 P31391 1/20 0.31
MAP3K12 Q12852 1/20 0.31

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
SCHEMBL24816262 0.92 BRD4 (0.39) CNR2CNR1TGFBR1PDE4DMAP3K14
SCHEMBL26013105 0.85 CNR2 (0.39) CNR2CNR1TGFBR1PDE4DLRRK2
SCHEMBL24007495 0.85 CNR2 (0.37) CNR2CNR1TGFBR1PDE4DLRRK2
SCHEMBL19953969 0.84 TGFBR1 (0.40) CNR2CNR1TGFBR1PDE4DKCNJ6
SCHEMBL26011688 0.84 CNR2 (0.39) CNR2CNR1TGFBR1PDE4DLRRK2
SCHEMBL24816260 0.80 LRRK2 (0.38) CNR2TGFBR1PDE4DKCNJ6KCNJ5
SCHEMBL26011686 0.77 BRD4 (0.39) CNR2CNR1LRRK2BRD4CREBBP
SCHEMBL24007247 0.77 BRD4 (0.39) CNR2CNR1LRRK2BRD4CREBBP
SCHEMBL24007404 0.77 BRD4 (0.39) CNR2CNR1LRRK2BRD4CREBBP
SCHEMBL26012741 0.76 BRD4 (0.38) CNR2CNR1BRD4CREBBPMAP3K12

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-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 CNR2 3981/4885CNR1 4118/4885TGFBR1 3289/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B CNR2 3981/4885CNR1 4118/4885TGFBR1 3289/4885

“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.