SCHEMBL23854875

SCHEMBL23854875

COc1cncc(-c2c(C#N)ccc(O)c2C(=O)N=C2NCC(C)(C)CN2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.40
CYP11B1 P15538 8/20 0.40
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
LRRK2 Q5S007 1/20 0.32
CYP1A2 P05177 2/20 0.32
CCR9 P51686 1/20 0.31
SCN9A Q15858 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
GAA P10253 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL23854843 0.87 CYP11B2 (0.38) CYP11B2CYP11B1
SCHEMBL21884543 0.87 CYP11B1 (0.36) CYP11B2CYP11B1LRRK2
SCHEMBL23854868 0.83 KDM5A (0.36) LRRK2MAPKAPK2
SCHEMBL23854876 0.81 MAOA (0.36) GAA
SCHEMBL21884422 0.79 CYP11B1 (0.38) CYP11B2CYP11B1MKNK1MKNK2LRRK2
SCHEMBL23854865 0.78 KDM4E (0.43) LRRK2GSK3BGAAAR
SCHEMBL23854852 0.78 CCNT1 (0.38)
SCHEMBL21884542 0.77
SCHEMBL23854840 0.73 KDM5A (0.38) LRRK2MAPKAPK2
SCHEMBL23854845 0.73 KDM4E (0.38) CYP11B2CYP11B1MKNK1MKNK2SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 CYP11B2 769/4885CYP11B1 735/4885MKNK1 3972/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CYP11B2 4207/4885CYP11B1 4297/4885MKNK1 922/4885

“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.