SCHEMBL23524286

SCHEMBL23524286

CCn1cnc2ccc(-c3nnc(-c4ccc(NC(C)C)c(C#N)c4)o3)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.39
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ MAP3K1 Q13233 1/20 0.34
▸ QPCT Q16769 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ LRRK2 Q5S007 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
SCHEMBL30355625 1.00 BRD4 (0.39) BRD4PGRARGSK3BIRAK4
SCHEMBL23524068 0.87 DYRK1A (0.42) BRD4PGRARGSK3BCDK1
SCHEMBL30355580 0.87 DYRK1A (0.42) BRD4PGRARGSK3BCDK1
SCHEMBL30355452 0.86 PGR (0.34) BRD4PGRARGSK3BIRAK4
SCHEMBL23523898 0.86 PGR (0.34) BRD4PGRARGSK3BIRAK4
SCHEMBL23524171 0.85 BRD4 (0.37) BRD4PGRARGSK3BCDK1
SCHEMBL30355385 0.85 BRD4 (0.37) BRD4PGRARGSK3BCDK1
SCHEMBL23523792 0.84 PGR (0.35) BRD4PGRARGSK3BIRAK4
SCHEMBL30355363 0.84 PGR (0.35) BRD4PGRARGSK3BIRAK4
SCHEMBL23523921 0.82 PGR (0.35) BRD4PGRARIRAK4LRRK2

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 BRD4 808/4885PGR 1551/4885AR 733/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 BRD4 1755/4885PGR 3364/4885AR 3441/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 BRD4 808/4885PGR 1551/4885AR 733/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 BRD4 808/4885PGR 1551/4885AR 733/4885

“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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