SCHEMBL31119313

SCHEMBL31119313

CN(C)CCN1Cc2nc(NCc3cccnc3)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 8/20 0.41
▸ CYP3A4 P08684 8/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ CYP2C19 P33261 6/20 0.41
▸ CLK4 Q9HAZ1 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ HSD17B10 Q99714 5/20 0.41
▸ CYP2D6 P10635 4/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ FYN P06241 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39

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
SCHEMBL31119271 0.94 CYP1A2 (0.40) CYP1A2CYP3A4HPGDCDK2CDK4
SCHEMBL31119263 0.84 CYP1A2 (0.40) CYP1A2CYP3A4HPGDCYP2C19CLK4
SCHEMBL31119265 0.84 CYP1A2 (0.40) CYP1A2CYP3A4HPGDCYP2C19CLK4
SCHEMBL31119323 0.84 CDK4 (0.43) CYP1A2CYP3A4HPGDCDK2CDK4
SCHEMBL31119305 0.83 SCD (0.45) CYP1A2CYP3A4HPGDCYP2C19CLK4
SCHEMBL31501293 0.83 CLK4 (0.41) CYP1A2CYP3A4HPGDCYP2C19CLK4
SCHEMBL31119332 0.82 SCD (0.42) CYP1A2CYP3A4HPGDCLK4ALDH1A1
SCHEMBL31119328 0.82 SCD (0.42) CYP1A2CYP3A4HPGDCLK4ALDH1A1
SCHEMBL31119280 0.82 ALDH1A1 (0.41) CYP1A2CYP3A4HPGDCYP2C19CLK4
SCHEMBL31119249 0.81 POLB (0.45) CYP1A2CYP3A4HPGDCYP2C19CLK4

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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