SCHEMBL25029318

SCHEMBL25029318

Cc1nc(-c2n[nH]c3c(C#N)cccc23)cnc1OCC(C)N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFATC1 O95644 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ SCN4A P35499 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SCN1A P35498 2/20 0.32
▸ SCN5A Q14524 2/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ KCNK3 O14649 1/20 0.32
▸ CACNA1F O60840 1/20 0.32
▸ KCNK2 O95069 1/20 0.32
▸ GBA1 P04062 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ HTR2A P28223 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
SCHEMBL25218789 0.85 NFATC1 (0.32) NFATC1GSK3BDYRK1A
SCHEMBL29364692 0.85 NFATC1 (0.32) NFATC1GSK3BDYRK1A
SCHEMBL26180189 0.84 AAK1 (0.35) NFATC1GSK3BDYRK1AAAK1LRRK2
SCHEMBL25029103 0.82 MBOAT4 (0.36) NFATC1GSK3BDYRK1AAAK1LRRK2
SCHEMBL29364371 0.82 MBOAT4 (0.36) NFATC1GSK3BDYRK1AAAK1LRRK2
SCHEMBL26180184 0.82 DYRK1A (0.50) NFATC1GSK3BDYRK1ASCN4ALMNA
SCHEMBL26180175 0.77 MAPK1 (0.32) LRRK2
SCHEMBL26719362 0.74 GSK3B (0.49) NFATC1GSK3BDYRK1ASLC6A4
SCHEMBL26180157 0.73 GSK3B (0.41) NFATC1GSK3BDYRK1ACYP1A2CYP3A4
SCHEMBL25028904 0.72 DYRK1A (0.50) NFATC1GSK3BDYRK1ASLC6A4

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-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES INC (US) 2023-11-02 — — US disclosed
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES INC (US) 2023-11-02 — — US disclosed
US-20230049406-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. 2023-02-16 — — 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 (2 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-20230049406-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 NFATC1 1397/4885GSK3B 463/4885DYRK1A 1187/4885
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 NFATC1 1359/4885GSK3B 441/4885DYRK1A 1097/4885

“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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