SCHEMBL23524171

SCHEMBL23524171

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.37
▸ GSK3B P49841 4/20 0.34
▸ EGLN2 Q96KS0 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ MAP3K1 Q13233 1/20 0.33
▸ QPCT Q16769 1/20 0.32
▸ XDH P47989 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ AR P10275 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL30355385 1.00 BRD4 (0.37) BRD4GSK3BEGLN2CDK1PRKCQ
SCHEMBL23523775 0.89 GSK3B (0.42) BRD4GSK3BEGLN2CDK1PRKCQ
SCHEMBL30355794 0.89 GSK3B (0.42) BRD4GSK3BEGLN2CDK1PRKCQ
SCHEMBL30355424 0.87 GSK3B (0.33) BRD4GSK3BEGLN2CDK1PRKCQ
SCHEMBL23523727 0.87 GSK3B (0.33) BRD4GSK3BEGLN2CDK1PRKCQ
SCHEMBL23524381 0.86 GSK3B (0.34) BRD4GSK3BEGLN2CDK1PRKCQ
SCHEMBL30355734 0.86 GSK3B (0.34) BRD4GSK3BEGLN2CDK1PRKCQ
SCHEMBL23524286 0.85 BRD4 (0.39) BRD4GSK3BCDK1PRKCQMAP3K1
SCHEMBL30355625 0.85 BRD4 (0.39) BRD4GSK3BCDK1PRKCQMAP3K1
SCHEMBL23523920 0.83 KDM1A (0.36) GSK3BEGLN2NPC1KDM4EPOLB

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 808/4885GSK3B 2521/4885EGLN2 1849/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 BRD4 1755/4885GSK3B 1281/4885EGLN2 317/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 BRD4 808/4885GSK3B 2521/4885EGLN2 1849/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 BRD4 808/4885GSK3B 2521/4885EGLN2 1849/4885

“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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