SCHEMBL23523792

SCHEMBL23523792

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ LRRK2 Q5S007 3/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ PRKCQ Q04759 1/20 0.32
▸ MAP3K1 Q13233 1/20 0.32
▸ BRD4 O60885 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
SCHEMBL30355363 1.00 PGR (0.35) PGRARIRAK4LRRK2GSK3B
SCHEMBL23524068 0.87 DYRK1A (0.42) PGRARLRRK2GSK3BCDK1
SCHEMBL30355580 0.87 DYRK1A (0.42) PGRARLRRK2GSK3BCDK1
SCHEMBL30355452 0.86 PGR (0.34) PGRARIRAK4LRRK2GSK3B
SCHEMBL23523898 0.86 PGR (0.34) PGRARIRAK4LRRK2GSK3B
SCHEMBL23524381 0.85 GSK3B (0.34) PGRARGSK3BCDK1PRKCQ
SCHEMBL30355734 0.85 GSK3B (0.34) PGRARGSK3BCDK1PRKCQ
SCHEMBL23524286 0.84 BRD4 (0.39) PGRARIRAK4LRRK2GSK3B
SCHEMBL30355625 0.84 BRD4 (0.39) PGRARIRAK4LRRK2GSK3B
SCHEMBL23524413 0.81 LRRK2 (0.37) PGRARLRRK2GSK3B

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 733/4885IRAK4 1340/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 PGR 3364/4885AR 3441/4885IRAK4 2741/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 PGR 1551/4885AR 733/4885IRAK4 1340/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 PGR 1551/4885AR 733/4885IRAK4 1340/4885

“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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