SCHEMBL30355730

SCHEMBL30355730

CC(C)Nc1ccc(-c2nnc(-c3ccc4c(c3)ncn4C)o2)cc1C#N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.37
▸ SYK P43405 2/20 0.37
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ CTSC P53634 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 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
SCHEMBL23524413 1.00 LRRK2 (0.37) LRRK2SYKPGRARKDM1A
SCHEMBL30355580 0.92 DYRK1A (0.42) LRRK2SYKPGRARGSK3B
SCHEMBL23524068 0.92 DYRK1A (0.42) LRRK2SYKPGRARGSK3B
SCHEMBL25857250 0.89 LRRK2 (0.39) LRRK2SYKKDM1AGRM5NPC1
SCHEMBL30355542 0.86 PGR (0.35) LRRK2PGRARHDAC1
SCHEMBL23523921 0.86 PGR (0.35) LRRK2PGRARHDAC1
SCHEMBL23523920 0.84 KDM1A (0.36) KDM1ACTSCGRM5NPC1POLB
SCHEMBL30355442 0.84 KDM1A (0.36) KDM1ACTSCGRM5NPC1POLB
SCHEMBL23523730 0.83 S1PR1 (0.37) PGRARNPC1RAB9AALDH1A1
SCHEMBL30355525 0.83 S1PR1 (0.37) PGRARNPC1RAB9AALDH1A1

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 LRRK2 2882/4885SYK 661/4885PGR 1551/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 LRRK2 3466/4885SYK 2363/4885PGR 3364/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 LRRK2 2882/4885SYK 661/4885PGR 1551/4885

“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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