SCHEMBL23523898

SCHEMBL23523898

CC(C)Nc1ccc(-c2nnc(-c3ccc4ncn(C(C)C)c4c3)o2)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.34
▸ AR P10275 1/20 0.34
▸ LRRK2 Q5S007 4/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ MAP3K1 Q13233 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL30355452 1.00 PGR (0.34) PGRARLRRK2CDK1GSK3B
SCHEMBL23524068 0.88 DYRK1A (0.42) PGRARLRRK2CDK1GSK3B
SCHEMBL30355580 0.88 DYRK1A (0.42) PGRARLRRK2CDK1GSK3B
SCHEMBL30355363 0.86 PGR (0.35) PGRARLRRK2CDK1GSK3B
SCHEMBL23523792 0.86 PGR (0.35) PGRARLRRK2CDK1GSK3B
SCHEMBL30355625 0.86 BRD4 (0.39) PGRARLRRK2CDK1GSK3B
SCHEMBL23524286 0.86 BRD4 (0.39) PGRARLRRK2CDK1GSK3B
SCHEMBL23523727 0.85 GSK3B (0.33) PGRARLRRK2CDK1GSK3B
SCHEMBL30355424 0.85 GSK3B (0.33) PGRARLRRK2CDK1GSK3B
SCHEMBL23524413 0.82 LRRK2 (0.37) PGRARLRRK2GSK3BALDH1A1

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 9 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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
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
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 — — US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — 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 (4 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 1551/4885AR 733/4885LRRK2 2882/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 PGR 3364/4885AR 3441/4885LRRK2 3466/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 PGR 1551/4885AR 733/4885LRRK2 2882/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 PGR 1551/4885AR 733/4885LRRK2 2882/4885

“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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