SCHEMBL26441302

SCHEMBL26441302

Cc1cnccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.53
▸ CRBN Q96SW2 3/20 0.52
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ ALDH1A2 O94788 3/20 0.46
▸ TBXAS1 P24557 2/20 0.46
▸ PDE3B Q13370 2/20 0.46
▸ PDE3A Q14432 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ PKM P14618 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KIF11 P52732 5/20 0.43

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
SCHEMBL31329494 0.87 MAP4K1 (0.51) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL31329495 0.87 MAP4K1 (0.51) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL21646064 0.87 MAP4K1 (0.51) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL23674722 0.84 CRBN (0.49) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL30100726 0.84 CRBN (0.49) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL26088019 0.84 ULK1 (0.53) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL30100712 0.84 ULK1 (0.53) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL31341310 0.84 MAP4K1 (0.59) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL21686954 0.84 MAP4K1 (0.59) MAP4K1CRBNHDAC3HDAC4HDAC1
SCHEMBL30100710 0.83 CRBN (0.48) MAP4K1CRBNHDAC3HDAC4HDAC1

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-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 — — US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 — — 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-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 MAP4K1 1207/4885CRBN 3317/4885HDAC3 163/4885

“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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