SCHEMBL24816262

SCHEMBL24816262

Cc1cc(C(C)(C)C#N)n(C2CCOC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
CNR2 P34972 4/20 0.34
MAP3K12 Q12852 3/20 0.34
CNR1 P21554 1/20 0.34
SPR P35270 1/20 0.32
KCNJ6 P48051 2/20 0.32
KCNJ5 P48544 2/20 0.32
KCNJ3 P48549 2/20 0.32
TGFBR1 P36897 1/20 0.32
FPR1 P21462 1/20 0.32
MAP3K14 Q99558 1/20 0.31
FLT3 P36888 2/20 0.30
MAP3K1 Q13233 2/20 0.30
LRRK2 Q5S007 2/20 0.30
PI4KB Q9UBF8 2/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
PDE4D Q08499 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
SCHEMBL24816259 0.92 CNR2 (0.38) BRD4CREBBPCNR2MAP3K12CNR1
SCHEMBL26011686 0.86 BRD4 (0.39) BRD4CREBBPCNR2MAP3K12CNR1
SCHEMBL24007404 0.86 BRD4 (0.39) BRD4CREBBPCNR2MAP3K12CNR1
SCHEMBL24007247 0.86 BRD4 (0.39) BRD4CREBBPCNR2MAP3K12CNR1
SCHEMBL24816290 0.85 CNR2 (0.37) CNR2MAP3K12SPRKCNJ6KCNJ5
SCHEMBL26012741 0.85 BRD4 (0.38) BRD4CREBBPCNR2MAP3K12CNR1
SCHEMBL24007242 0.83 BRD4 (0.38) BRD4CREBBPCNR2MAP3K12CNR1
SCHEMBL24008010 0.83 BRD4 (0.38) BRD4CREBBPCNR2MAP3K12CNR1
SCHEMBL24566258 0.81 BRD4 (0.36) BRD4CREBBPCNR2MAP3K12CNR1
SCHEMBL24566232 0.81 BRD4 (0.36) BRD4CREBBPCNR2MAP3K12CNR1

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 BRD4 53/4885CREBBP 421/4885CNR2 3981/4885
US-11691963-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors JAK2, JAK3, STAT5B BRD4 53/4885CREBBP 421/4885CNR2 3981/4885

“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.