SCHEMBL30355794

SCHEMBL30355794

Cn1cnc2ccc(-c3nnc(-c4ccc(NCC(F)F)c(C#N)c4)o3)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.42
▸ DYRK1A Q13627 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PRKCI P41743 1/20 0.34
▸ PRMT5 O14744 10/20 0.33
▸ WDR77 Q9BQA1 8/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ MAP3K1 Q13233 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CHRM1 P11229 1/20 0.32
▸ EGLN2 Q96KS0 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
SCHEMBL23523775 1.00 GSK3B (0.42) GSK3BDYRK1AHDAC6PRKCIPRMT5
SCHEMBL23523920 0.92 KDM1A (0.36) GSK3BHDAC6PRMT5WDR77EGLN2
SCHEMBL30355442 0.92 KDM1A (0.36) GSK3BHDAC6PRMT5WDR77EGLN2
SCHEMBL30355424 0.89 GSK3B (0.33) GSK3BPRMT5WDR77CDK1PRKCQ
SCHEMBL23524171 0.89 BRD4 (0.37) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL30355385 0.89 BRD4 (0.37) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL23523727 0.89 GSK3B (0.33) GSK3BPRMT5WDR77CDK1PRKCQ
SCHEMBL23524381 0.88 GSK3B (0.34) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL30355734 0.88 GSK3B (0.34) GSK3BCDK1PRKCQMAP3K1BRD4
SCHEMBL23524235 0.87 GSK3B (0.43) GSK3BDYRK1AHDAC6PRKCICDK1

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 2521/4885DYRK1A 2547/4885HDAC6 2041/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 GSK3B 1281/4885DYRK1A 2933/4885HDAC6 856/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 GSK3B 2521/4885DYRK1A 2547/4885HDAC6 2041/4885

“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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