SCHEMBL30355525

SCHEMBL30355525

CC(C)Nc1ccc(-c2nnc(-c3cccc4c3ncn4C)o2)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 3/20 0.33
▸ MGAM O43451 2/20 0.33
▸ SI P14410 2/20 0.33
▸ MGAM2 Q2M2H8 2/20 0.33
▸ PGR P06401 1/20 0.33
▸ AR P10275 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL23523730 1.00 S1PR1 (0.37) S1PR1CYP2C9S1PR5IRAK4KDM4E
SCHEMBL23523918 0.85 S1PR1 (0.35) S1PR1CYP2C9S1PR5KDM4EALDH1A1
SCHEMBL30355800 0.85 S1PR1 (0.35) S1PR1CYP2C9S1PR5KDM4EALDH1A1
SCHEMBL30355580 0.83 DYRK1A (0.42) PGRARGSK3B
SCHEMBL23524068 0.83 DYRK1A (0.42) PGRARGSK3B
SCHEMBL30355730 0.83 LRRK2 (0.37) ALDH1A1RAB9ANPC1PGRAR
SCHEMBL23524413 0.83 LRRK2 (0.37) ALDH1A1RAB9ANPC1PGRAR
SCHEMBL23524222 0.80 BRD4 (0.36) S1PR1CYP2C9IRAK4GAAMGAM
SCHEMBL30355620 0.80 BRD4 (0.36) S1PR1CYP2C9IRAK4GAAMGAM
SCHEMBL23524013 0.76 TP53 (0.46) S1PR1CYP2C9KDM4EALDH1A1HPGD

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 3 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
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 — — 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 (3 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 S1PR1 1/4885CYP2C9 4770/4885S1PR5 4/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885CYP2C9 4392/4885S1PR5 4/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885CYP2C9 4770/4885S1PR5 4/4885

“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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