SCHEMBL31119280

SCHEMBL31119280

CCC(=O)NCCN1Cc2nc(NCc3cccnc3)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ VNN1 O95497 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL31119298 0.93 KDM4E (0.44) ALDH1A1KDM4EHPGDTSHRKMT2A
SCHEMBL31119305 0.91 SCD (0.45) ALDH1A1KDM4EHPGDTSHRKMT2A
SCHEMBL31501293 0.90 CLK4 (0.41) ALDH1A1KDM4EHPGDTSHRKMT2A
SCHEMBL31119276 0.88 JAK1 (0.44) ALDH1A1TSHRKMT2ACYP1A2CYP3A4
SCHEMBL31119324 0.87 GLS (0.34) TSHRTP53VNN1CLK4
SCHEMBL31119288 0.86 CYP11B2 (0.37) ALDH1A1KDM4EHPGDTSHRCYP2C9
SCHEMBL31119325 0.86 SCD (0.40) ALDH1A1KDM4EHPGDTSHRKMT2A
SCHEMBL31119300 0.85 MAP4K4 (0.38) VNN1
SCHEMBL31119328 0.85 SCD (0.42) ALDH1A1KDM4EHPGDTSHRKMT2A
SCHEMBL31119332 0.85 SCD (0.42) ALDH1A1KDM4EHPGDTSHRKMT2A

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 ALDH1A1 898/4885KDM4E 3549/4885HPGD 419/4885

“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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