SCHEMBL27039404

SCHEMBL27039404

[N-]=[N+]=NC1CCC(C(=O)N2CCC(C(=O)Nc3ccc(N4CCC(=O)NC4=O)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.45
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ABL1 P00519 4/20 0.38
▸ RIN1 Q13671 4/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ DDB1 Q16531 3/20 0.37
▸ CRBN Q96SW2 3/20 0.37
▸ PTPN2 P17706 2/20 0.36
▸ PTPN6 P29350 1/20 0.35
▸ NAMPT P43490 1/20 0.35

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
SCHEMBL27039411 0.76 DDB1 (0.49) ABL1DDB1CRBN
SCHEMBL27039385 0.75 PTPN2 (0.65) PTPN1KMT2AABL1RIN1DDB1
Hydrochloric Acid SCHEMBL27040326 0.75 DDB1 (0.48) ABL1DDB1CRBN
SCHEMBL25416997 0.71 DDB1 (0.49) MEN1KMT2ADDB1CRBN
SCHEMBL25193821 0.69 DDB1 (0.49) MEN1KMT2ADDB1CRBN
SCHEMBL30289168 0.68 TDP1 (0.53) MEN1KMT2ADDB1CRBNNAMPT
SCHEMBL25415807 0.67 DDB1 (0.47) DDB1CRBN
SCHEMBL25190616 0.67 DDB1 (0.47) DDB1CRBN
SCHEMBL27039585 0.67 HPGD (0.42) —
SCHEMBL25504703 0.66 DDB1 (0.45) MEN1KMT2ADDB1CRBN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558495-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 Bristol-Myers Squibb Company (US) 2025-05-28 — — EP disclosed
US-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 — — US disclosed
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 — — 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-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 IRAK4, IRAK2, IRAK3 PTPN1 575/4885RXRA 1082/4885RXRB 1023/4885

“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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