SCHEMBL31119295

SCHEMBL31119295

O=C1NCc2nc(NCc3cccnc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.47
▸ CYP3A4 P08684 7/20 0.47
▸ CLK4 Q9HAZ1 5/20 0.47
▸ CYP2C19 P33261 5/20 0.47
▸ CYP2D6 P10635 5/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LTA4H P09960 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ HK1 P19367 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HKDC1 Q2TB90 1/20 0.43
▸ VNN1 O95497 1/20 0.43
▸ CLK1 P49759 1/20 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
SCHEMBL31119275 0.88 CYP1A2 (0.45) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL31119326 0.75 CYP11B2 (0.44) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL14243750 0.74 CYP1A2 (0.55) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL31119313 0.74 CYP1A2 (0.41) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL31119305 0.72 SCD (0.45) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL31119249 0.71 POLB (0.45) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL31119296 0.71 DHPS (0.42) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL31119271 0.70 CYP1A2 (0.40) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL417328 0.69 CLK4 (0.52) CYP1A2CYP3A4CLK4CYP2C19CYP2D6
SCHEMBL2128197 0.67 MEN1 (0.62) CYP1A2CYP3A4CLK4CYP2C19CYP2D6

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 CYP1A2 2868/4885CYP3A4 2422/4885CLK4 3285/4885

“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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