SCHEMBL30355542

SCHEMBL30355542

CC(C)Nc1ccc(-c2nnc(-c3ccc4c(c3)ncn4CCO)o2)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL23523921 1.00 PGR (0.35) PGRARLRRK2USP2MAPK1
SCHEMBL25857252 0.90 LRRK2 (0.35) LRRK2USP2MAPK1IRAK4HDAC1
SCHEMBL30355730 0.86 LRRK2 (0.37) PGRARLRRK2HDAC1
SCHEMBL23524413 0.86 LRRK2 (0.37) PGRARLRRK2HDAC1
SCHEMBL23524014 0.85 HDAC1 (0.32) USP2MAPK1HDAC1
SCHEMBL23524286 0.82 BRD4 (0.39) PGRARLRRK2IRAK4BRD4
SCHEMBL30355625 0.82 BRD4 (0.39) PGRARLRRK2IRAK4BRD4
SCHEMBL30355580 0.80 DYRK1A (0.42) PGRARLRRK2BRD4
SCHEMBL23524068 0.80 DYRK1A (0.42) PGRARLRRK2BRD4
SCHEMBL23523898 0.77 PGR (0.34) PGRARLRRK2IRAK4BRD4

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 PGR 1551/4885AR 733/4885LRRK2 2882/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 PGR 3364/4885AR 3441/4885LRRK2 3466/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 PGR 1551/4885AR 733/4885LRRK2 2882/4885

“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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