SCHEMBL25867654

SCHEMBL25867654

N#Cc1cc(C2=NC(c3ccc4c(c3)CC(=O)N4)=NC2)ccc1NCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 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
▸ TBK1 Q9UHD2 1/20 0.37
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ SMYD3 Q9H7B4 3/20 0.36
▸ PTK2 Q05397 1/20 0.35
▸ PTK2B Q14289 1/20 0.35
▸ CTSC P53634 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CTSK P43235 1/20 0.33

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
SCHEMBL25856880 0.84 PGR (0.40) PGRCDC7CCNE1CDK2DBF4
SCHEMBL25864140 0.83 XDH (0.45) PGRTBK1
SCHEMBL23084622 0.79 S1PR1 (0.44) PGRCDC7CCNE1CDK2DBF4
SCHEMBL29771163 0.79 S1PR1 (0.44) PGRCDC7CCNE1CDK2DBF4
SCHEMBL23558430 0.78 PGR (0.39) PGRCDC7CCNE1CDK2DBF4
SCHEMBL23524126 0.75 CDC7 (0.42) CDC7CCNE1CDK2DBF4PDE3B
SCHEMBL23084621 0.75 CDC7 (0.38) PGRCDC7CCNE1CDK2DBF4
SCHEMBL30355471 0.72 S1PR1 (0.52) —
SCHEMBL23524322 0.72 S1PR1 (0.52) —
SCHEMBL23524125 0.71 S1PR1 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
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 (2 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 PGR 1551/4885CDC7 3341/4885CCNE1 4355/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 PGR 1551/4885CDC7 3341/4885CCNE1 4355/4885

“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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