SCHEMBL25857250

SCHEMBL25857250

CC(C)Nc1cnc(-c2nnc(-c3ccc4c(c3)ncn4C)o2)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.39
▸ SYK P43405 4/20 0.38
▸ RET P07949 1/20 0.34
▸ GSK3B P49841 1/20 0.33
▸ KDM1A O60341 3/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GRM5 P41594 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
SCHEMBL23524413 0.89 LRRK2 (0.37) LRRK2SYKGSK3BKDM1ANPC1
SCHEMBL30355730 0.89 LRRK2 (0.37) LRRK2SYKGSK3BKDM1ANPC1
SCHEMBL25857252 0.87 LRRK2 (0.35) LRRK2SYKIRAK4
SCHEMBL25857251 0.85 GSK3B (0.35) RETGSK3BKDM1ANPC1POLB
SCHEMBL30355580 0.81 DYRK1A (0.42) LRRK2SYKGSK3B
SCHEMBL23524068 0.81 DYRK1A (0.42) LRRK2SYKGSK3B
SCHEMBL30355542 0.76 PGR (0.35) LRRK2IRAK4
SCHEMBL23523921 0.76 PGR (0.35) LRRK2IRAK4
SCHEMBL23523920 0.76 KDM1A (0.36) GSK3BKDM1ANPC1POLBRAB9A
SCHEMBL30355442 0.76 KDM1A (0.36) GSK3BKDM1ANPC1POLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — 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 (1 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 661/4885RET 2795/4885

“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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