SCHEMBL23069701

SCHEMBL23069701

CC(F)CNc1ccc(-c2nnc(-c3ccc4c(c3)CCC(=O)N4)o2)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ DBF4 Q9UBU7 1/20 0.40
▸ AKT1 P31749 2/20 0.38
▸ KIF11 P52732 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL23524329 0.93 CDK2 (0.41) CDK2CDC7CCNE1DBF4AKT1
SCHEMBL23523910 0.89 S1PR1 (0.44) KCNH2
SCHEMBL23524015 0.86 CDC7 (0.42) CDK2CDC7CCNE1DBF4AKT1
SCHEMBL30355553 0.86 MAPT (0.40) CDK2CDC7CCNE1DBF4KIF11
SCHEMBL23523765 0.86 MAPT (0.40) CDK2CDC7CCNE1DBF4KIF11
SCHEMBL23558562 0.84 CDC7 (0.41) CDK2CDC7CCNE1DBF4AKT1
SCHEMBL23524126 0.84 CDC7 (0.42) CDK2CDC7CCNE1DBF4KIF11
SCHEMBL29673272 0.83 KCNH2 (0.36) CDK2CDC7CCNE1DBF4KCNH2
SCHEMBL23524103 0.81 S1PR1 (0.42) KIF11KCNH2MAPTALDH1A1POLB
Trifluoroacetic Acid SCHEMBL20587463 0.79 CDC7 (0.39) CDK2CDC7CCNE1DBF4AKT1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585360-B Methods of using the same for treating epilepsy 特维娜有限公司 2025-04-29 — — CN 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-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
EP-4025211-A1 METHODS OF TREATING EPILEPSY USING THE SAME Trevena, Inc. (US) 2022-07-13 — — EP 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
WO-2021046183-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. (US) 2021-03-11 — — WO disclosed
WO-2021046183-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. (US) 2021-03-11 — — WO disclosed
CN-110831593-A Compounds for modulating S1P1 activity and methods of use thereof 特维娜有限公司 2020-02-21 — — CN 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 CDK2 3639/4885CDC7 3341/4885CCNE1 4355/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CDK2 4720/4885CDC7 4702/4885CCNE1 4795/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CDK2 3639/4885CDC7 3341/4885CCNE1 4355/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CDK2 3639/4885CDC7 3341/4885CCNE1 4355/4885

“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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