SCHEMBL30355750

SCHEMBL30355750

C=CCNc1ccc(-c2nc(-c3ccc4sc(N)nc4c3)no2)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ S1PR1 P21453 10/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ FTO Q9C0B1 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 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
SCHEMBL23523813 1.00 PIK3CD (0.35) PIK3CDPIK3CAPIK3CBPIK3CGS1PR1
SCHEMBL30355729 0.85 S1PR1 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGS1PR1
SCHEMBL23524192 0.85 S1PR1 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGS1PR1
SCHEMBL30355813 0.82 POLB (0.41) PIK3CDPIK3CAPIK3CBPIK3CGS1PR1
SCHEMBL23523884 0.82 POLB (0.41) PIK3CDPIK3CAPIK3CBPIK3CGS1PR1
SCHEMBL23524372 0.79 PSMD11 (0.42) S1PR1S1PR3KCNH2
SCHEMBL30355759 0.79 S1PR1 (0.36) S1PR1L3MBTL1S1PR3KCNH2MAPT
SCHEMBL23523944 0.79 S1PR1 (0.36) S1PR1L3MBTL1S1PR3KCNH2MAPT
SCHEMBL30355611 0.79 PSMD11 (0.42) S1PR1S1PR3KCNH2
SCHEMBL20588060 0.77 S1PR1 (0.49) S1PR1L3MBTL1BRD4S1PR3

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 PIK3CD 984/4885PIK3CA 916/4885PIK3CB 927/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 PIK3CD 2293/4885PIK3CA 2394/4885PIK3CB 1972/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 PIK3CD 984/4885PIK3CA 916/4885PIK3CB 927/4885

“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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