SCHEMBL29324978

SCHEMBL29324978

CN(c1ccnc(C#N)n1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.53
CTSK P43235 7/20 0.50
LCK P06239 5/20 0.48
JAK1 P23458 4/20 0.44
JAK2 O60674 2/20 0.44
LRRK2 Q5S007 1/20 0.39
GPR4 P46093 1/20 0.37
MAPK10 P53779 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL27227021 0.86 JAK3 (0.40) JAK3CTSKLCKJAK1JAK2
SCHEMBL2564595 0.85 CTSK (0.52) JAK3CTSKLCKGPR4
SCHEMBL27226227 0.79 GPR119 (0.43) JAK3CTSKLCKJAK1JAK2
SCHEMBL31627588 0.78 CTSK (0.38) JAK3CTSKIRAK4
SCHEMBL2228524 0.76 CTSK (0.50) CTSKGPR4
SCHEMBL27227115 0.74 GPR119 (0.64)
SCHEMBL151125 0.72 JAK3 (0.38) JAK3CTSKJAK1JAK2LRRK2
SCHEMBL5794080 0.71 CTSK (0.51) CTSKGPR4
SCHEMBL13922645 0.69 JAK3 (0.51) JAK3LCKJAK1JAK2LRRK2
SCHEMBL14858089 0.69 LRRK2 (0.46) JAK3LCKJAK1JAK2LRRK2

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-20240239797-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. 2024-07-18 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-20240239797-A1 AKT1 MODULATORS AKT1S1, AKT1, AKT2 JAK3 1252/4885CTSK 2726/4885LCK 789/4885

“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.