SCHEMBL23523977

SCHEMBL23523977

CC(C)Nc1ccc(-c2nnc(-c3ccc4cnccc4c3)o2)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.52
▸ CDK2 P24941 2/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ DBF4 Q9UBU7 1/20 0.45
▸ AKT1 P31749 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ HASPIN Q8TF76 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ UTRN P46939 2/20 0.36
▸ CYP11B1 P15538 1/20 0.36

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
SCHEMBL30355575 1.00 ALOX15 (0.52) ALOX15CDK2CDC7CCNE1DBF4
SCHEMBL23524013 0.86 TP53 (0.46) ALDH1A1HPGDHSD17B10TSHRCYP1A2
SCHEMBL23524404 0.84 NPC1 (0.50) ALDH1A1HPGDHSD17B10CYP1A2CYP3A4
SCHEMBL23524128 0.82 CDK2 (0.47) ALOX15CDK2CDC7CCNE1DBF4
SCHEMBL30355540 0.82 CDK2 (0.47) ALOX15CDK2CDC7CCNE1DBF4
SCHEMBL30355524 0.79 TRPA1 (0.48) CDK2CDC7CCNE1DBF4AKT1
SCHEMBL23524042 0.79 TRPA1 (0.48) CDK2CDC7CCNE1DBF4AKT1
SCHEMBL23524261 0.79 NPC1 (0.43) POLBUTRNNPC1RAB9AGAA
SCHEMBL23523820 0.79 LRRK2 (0.44) —
SCHEMBL30355554 0.79 LRRK2 (0.44) —

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 ALOX15 818/4885CDK2 3639/4885CDC7 3341/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 ALOX15 699/4885CDK2 4720/4885CDC7 4702/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 ALOX15 818/4885CDK2 3639/4885CDC7 3341/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 ALOX15 818/4885CDK2 3639/4885CDC7 3341/4885

“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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