SCHEMBL31119263

SCHEMBL31119263

CN(C)C(C)(C)CN1Cc2nc(NCc3cccnc3)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.40
▸ CYP3A4 P08684 8/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP2C19 P33261 6/20 0.40
▸ HSD17B10 Q99714 6/20 0.40
▸ CLK4 Q9HAZ1 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP2D6 P10635 4/20 0.40
▸ ALOX15 P16050 3/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FYN P06241 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ APAF1 O14727 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
SCHEMBL31119265 1.00 CYP1A2 (0.40) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119313 0.84 CYP1A2 (0.41) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119258 0.84 VNN1 (0.40) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119271 0.83 CYP1A2 (0.40) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119249 0.80 POLB (0.45) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119305 0.78 SCD (0.45) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119296 0.78 DHPS (0.42) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31501293 0.77 CLK4 (0.41) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119280 0.77 ALDH1A1 (0.41) CYP1A2CYP3A4HPGDCYP2C19HSD17B10
SCHEMBL31119326 0.76 CYP11B2 (0.44) CYP1A2CYP3A4CYP2C19HSD17B10CLK4

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 2422/4885HPGD 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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