SCHEMBL23524419

SCHEMBL23524419

Cc1nc2ccc(-c3nnc(-c4ccc(NCC(F)F)c(C#N)c4)o3)cc2n1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ HTT P42858 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MBOAT4 Q96T53 2/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ AR P10275 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ S1PR1 P21453 3/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL30355777 1.00 KDM4E (0.33) KDM4EALDH1A1HTTHSD17B10USP2
SCHEMBL23523775 0.84 GSK3B (0.42) HDAC6
SCHEMBL30355794 0.84 GSK3B (0.42) HDAC6
SCHEMBL30355592 0.84 PGR (0.37) KDM4EALDH1A1HTTHSD17B10USP2
SCHEMBL23524240 0.84 PGR (0.37) KDM4EALDH1A1HTTHSD17B10USP2
SCHEMBL23524171 0.81 BRD4 (0.37) KDM4EUSP2MAPK1PGRAR
SCHEMBL30355385 0.81 BRD4 (0.37) KDM4EUSP2MAPK1PGRAR
SCHEMBL23523727 0.81 GSK3B (0.33) KDM4EALDH1A1NPSR1PGRAR
SCHEMBL30355424 0.81 GSK3B (0.33) KDM4EALDH1A1NPSR1PGRAR
SCHEMBL23523920 0.80 KDM1A (0.36) KDM4EALDH1A1HTTHSD17B10KDM1A

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 KDM4E 2644/4885ALDH1A1 2583/4885HTT 3156/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 KDM4E 1123/4885ALDH1A1 1143/4885HTT 3284/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 KDM4E 2644/4885ALDH1A1 2583/4885HTT 3156/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 KDM4E 2644/4885ALDH1A1 2583/4885HTT 3156/4885

“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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