SCHEMBL24656775

SCHEMBL24656775

CCCCCCC(C)(CCCCCC)c1ncnc2[nH]ncc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ PDPK1 O15530 2/20 0.42
▸ RET P07949 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ HPGDS O60760 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ PTK2 Q05397 1/20 0.37
▸ CDK2 P24941 2/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CCNE1 P24864 1/20 0.36

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
SCHEMBL25542166 0.76 ALDH1A1 (0.50) ALDH1A1PDPK1RETPI4KAXDH
SCHEMBL21945762 0.69 PAK1 (0.33) XDH
SCHEMBL25873317 0.69 HTT (0.51) ALDH1A1PDPK1PI4KAXDHLRRK2
SCHEMBL23502540 0.68 CNR2 (0.34) ALDH1A1
SCHEMBL23502537 0.68 CNR2 (0.34) ALDH1A1
SCHEMBL21720097 0.67 CNR2 (0.37) XDH
SCHEMBL21720080 0.66 CNR2 (0.36) —
SCHEMBL21719792 0.66 CNR2 (0.34) —
SCHEMBL21719636 0.66 CNR2 (0.36) XDH
SCHEMBL21719797 0.66 CNR2 (0.34) —

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-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 — — 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885PDPK1 620/4885RET 2343/4885

“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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