SCHEMBL30355424

SCHEMBL30355424

CC(C)n1cnc2ccc(-c3nnc(-c4ccc(NCC(F)F)c(C#N)c4)o3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ MAP3K1 Q13233 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ ATR Q13535 3/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ PGR P06401 1/20 0.30

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
SCHEMBL23523727 1.00 GSK3B (0.33) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL23523775 0.89 GSK3B (0.42) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL30355794 0.89 GSK3B (0.42) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL30355385 0.87 BRD4 (0.37) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL23524171 0.87 BRD4 (0.37) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL23524381 0.86 GSK3B (0.34) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL30355734 0.86 GSK3B (0.34) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL23523898 0.85 PGR (0.34) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL30355452 0.85 PGR (0.34) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL23523920 0.83 KDM1A (0.36) GSK3BKDM4ERAB9ANPC1ALDH1A1

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 GSK3B 2521/4885CDK1 2453/4885PRKCQ 1204/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 GSK3B 1281/4885CDK1 3853/4885PRKCQ 821/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 GSK3B 2521/4885CDK1 2453/4885PRKCQ 1204/4885

“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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