SCHEMBL25864194

SCHEMBL25864194

N#Cc1cc(-c2nc(-c3ccc4c(c3)CC(=O)N4)co2)ccc1OCC=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.40
▸ PGR P06401 2/20 0.39
▸ CDC7 O00311 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ XDH P47989 1/20 0.35

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
SCHEMBL23558430 0.78 PGR (0.39) TBK1PGRCDC7CCNE1CDK2
SCHEMBL6200142 0.68 MAPT (0.49) PGRPDE3BPDE3A
SCHEMBL23524349 0.67 S1PR1 (0.44) TBK1PGRCDC7CCNE1CDK2
SCHEMBL25864140 0.66 XDH (0.45) TBK1PGRXDH
SCHEMBL23558399 0.66 CTSC (0.35) S1PR1XDH
SCHEMBL23558463 0.65 S1PR1 (0.59) S1PR1
SCHEMBL29771163 0.63 S1PR1 (0.44) TBK1PGRCDC7CCNE1CDK2
SCHEMBL23084622 0.63 S1PR1 (0.44) TBK1PGRCDC7CCNE1CDK2
SCHEMBL23523860 0.63 S1PR1 (0.46) TBK1PGRS1PR1
SCHEMBL18189409 0.61 GRIA1 (0.66) PGRPDE3BPDE3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 TBK1 1937/4885PGR 1551/4885CDC7 3341/4885

“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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