SCHEMBL23524068

SCHEMBL23524068

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.42
▸ GSK3B P49841 2/20 0.41
▸ SYK P43405 2/20 0.37
▸ PRKCI P41743 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35
▸ CDK1 P06493 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ MAP3K1 Q13233 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CDK9 P50750 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
SCHEMBL30355580 1.00 DYRK1A (0.42) DYRK1AGSK3BSYKPRKCILRRK2
SCHEMBL23524413 0.92 LRRK2 (0.37) GSK3BSYKLRRK2PGRAR
SCHEMBL30355730 0.92 LRRK2 (0.37) GSK3BSYKLRRK2PGRAR
SCHEMBL30355390 0.89 GSK3B (0.43) DYRK1AGSK3BPRKCIPGRAR
SCHEMBL23523811 0.89 GSK3B (0.43) DYRK1AGSK3BPRKCIPGRAR
SCHEMBL23523898 0.88 PGR (0.34) GSK3BLRRK2PGRARCDK1
SCHEMBL30355452 0.88 PGR (0.34) GSK3BLRRK2PGRARCDK1
SCHEMBL23524286 0.87 BRD4 (0.39) GSK3BLRRK2PGRARCDK1
SCHEMBL23523792 0.87 PGR (0.35) GSK3BLRRK2PGRARCDK1
SCHEMBL30355363 0.87 PGR (0.35) GSK3BLRRK2PGRARCDK1

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 DYRK1A 2547/4885GSK3B 2521/4885SYK 661/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 DYRK1A 2933/4885GSK3B 1281/4885SYK 2363/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 DYRK1A 2547/4885GSK3B 2521/4885SYK 661/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 DYRK1A 2547/4885GSK3B 2521/4885SYK 661/4885

“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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