SCHEMBL23524416

SCHEMBL23524416

C=CCNc1ccc(-c2nc(-c3ccc4[nH]c(=O)oc4c3)no2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ DBF4 Q9UBU7 1/20 0.41
▸ S1PR1 P21453 10/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ TBK1 Q9UHD2 1/20 0.34
▸ PTGDR Q13258 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ PPM1D O15297 1/20 0.33

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
SCHEMBL23524308 0.86 S1PR1 (0.41) CDC7CCNE1CDK2DBF4S1PR1
SCHEMBL20588060 0.82 S1PR1 (0.49) S1PR1L3MBTL1S1PR3
SCHEMBL30355388 0.82 S1PR1 (0.49) S1PR1L3MBTL1S1PR3
SCHEMBL30355473 0.81 S1PR1 (0.48) CDC7CCNE1CDK2DBF4S1PR1
SCHEMBL23523996 0.81 S1PR1 (0.48) CDC7CCNE1CDK2DBF4S1PR1
SCHEMBL23523944 0.80 S1PR1 (0.36) S1PR1MAPTL3MBTL1S1PR3
SCHEMBL30355759 0.80 S1PR1 (0.36) S1PR1MAPTL3MBTL1S1PR3
SCHEMBL23524372 0.80 PSMD11 (0.42) S1PR1S1PR3
SCHEMBL30355611 0.80 PSMD11 (0.42) S1PR1S1PR3
SCHEMBL23524010 0.79 S1PR1 (0.39) S1PR1MAPTL3MBTL1S1PR3

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 6 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-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

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 CDC7 3341/4885CCNE1 4355/4885CDK2 3639/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CDC7 4702/4885CCNE1 4795/4885CDK2 4720/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CDC7 3341/4885CCNE1 4355/4885CDK2 3639/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CDC7 3341/4885CCNE1 4355/4885CDK2 3639/4885

“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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