SCHEMBL23133117

SCHEMBL23133117

CNc1cncnc1NCCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.41
▸ CCNB2 O95067 2/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ CCNB1 P14635 2/20 0.33
▸ CCNB3 Q8WWL7 2/20 0.33
▸ CYP3A4 P08684 8/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ AOC1 P19801 1/20 0.32
▸ AOC3 Q16853 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 3/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ HSD17B10 Q99714 5/20 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
SCHEMBL23133101 0.88 CYP1A2 (0.38) CYP1A2CCNB2CDK1CCNB1CCNB3
SCHEMBL23133072 0.84 ALDH1A1 (0.40) CYP1A2CCNB2CDK1CCNB1CCNB3
SCHEMBL23133119 0.75 AOC1 (0.42) AOC1AOC3
SCHEMBL23133038 0.75 AOC1 (0.42) AOC1AOC3
SCHEMBL23133100 0.75 UTS2R (0.40) ALDH1A1LMNAMAPTTSHRHSD17B10
SCHEMBL23133104 0.73 TSHR (0.34) CYP1A2TSHR
SCHEMBL21527439 0.73 CYP1A2 (0.37) CYP1A2ALDH1A1JAK2JAK1JAK3
SCHEMBL23133094 0.71 UTS2R (0.38) CYP1A2CCNB2CDK1CCNB1CCNB3
SCHEMBL21267252 0.68 MAPT (0.39) CYP1A2ALDH1A1LMNACYP2C19MAPT
SCHEMBL23133112 0.68 DNM2 (0.44) CYP1A2CYP2D6CYP2C19CLK4HSD17B10

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-20230000773-A1 NOVEL HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2023-01-05 — — US disclosed
WO-2021055849-A1 HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2021-03-25 — — WO 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-20230000773-A1 NOVEL HEADGROUP LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS LNPK, PEBP1, PLTP CYP1A2 4879/4885CCNB2 3501/4885CDK1 4041/4885

“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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