SCHEMBL31119288

SCHEMBL31119288

CCC(=O)NCCN1Cc2nc(NCc3cncc(C)c3)ccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ ADORA2B P29275 3/20 0.35
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ SCD O00767 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ NAMPT P43490 2/20 0.32
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK6 Q00534 1/20 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
SCHEMBL31119307 0.91 SCD (0.39) CYP11B2ADORA2BSCDCYP2C9NAMPT
SCHEMBL31119280 0.86 ALDH1A1 (0.41) TP53TSHRCYP2C9KDM4EALDH1A1
SCHEMBL31119324 0.85 GLS (0.34) TP53TSHRPIK3CAMAPK1
SCHEMBL31119251 0.84 CDK4 (0.33) CYP11B2CYP11B1TP53TSHRSCD
SCHEMBL31119261 0.82 KDM5A (0.40) —
SCHEMBL31119267 0.82 KDM5A (0.40) —
SCHEMBL31119306 0.82 SOST (0.38) CYP11B2CYP11B1TP53TSHRPIK3CA
SCHEMBL31119308 0.81 FBP1 (0.41) TP53TSHRMTNR1AMTNR1BKDM4E
SCHEMBL31119300 0.81 MAP4K4 (0.38) CYP11B2CYP11B1ADORA2BPIK3CAMAPK1
SCHEMBL31119262 0.81 SCD (0.39) CYP11B2ADORA2BSCD

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-4683919-A1 VANIN-1 INHIBITORS Athos Therapeutics, Inc. (US) 2026-01-28 — — EP disclosed
US-20250066353-A1 VANIN-1 INHIBITORS ATHOS THERAPEUTICS INC (US) 2025-02-27 — — US disclosed
WO-2024196841-A1 VANIN-1 INHIBITORS ATHOS THERAPEUTICS, INC. (US) 2024-09-26 — — 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-20250066353-A1 VANIN-1 INHIBITORS VCAM1, TMBIM6, VNN1 CYP11B2 3271/4885CYP11B1 2590/4885ADORA2B 4367/4885

“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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