SCHEMBL23854840

SCHEMBL23854840

COc1cc(-c2c(C#N)ccc(O)c2C(=O)N=C2NCCN2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.38
AAK1 Q2M2I8 3/20 0.37
CYP3A4 P08684 2/20 0.37
SSTR2 P30874 1/20 0.36
LRRK2 Q5S007 4/20 0.35
USP30 Q70CQ3 2/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
MAPKAPK2 P49137 1/20 0.33
ADORA2A P29274 1/20 0.33
CTSC P53634 1/20 0.32
IDO1 P14902 1/20 0.31
CTSA P10619 1/20 0.31
CNR1 P21554 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL21885704 0.96 KDM5A (0.37) KDM5AAAK1CYP3A4SSTR2LRRK2
SCHEMBL23854868 0.91 KDM5A (0.36) KDM5AAAK1CYP3A4SSTR2LRRK2
SCHEMBL23854847 0.85 RIPK3 (0.34) MAPKAPK2
SCHEMBL23854865 0.83 KDM4E (0.43) LRRK2
SCHEMBL21884483 0.80 AR (0.31) CYP3A4
SCHEMBL21884792 0.79 MAOA (0.37) KDM5A
SCHEMBL23854891 0.79 BLM (0.33) KDM5A
SCHEMBL21884484 0.78 DRD2 (0.33) MAPKAPK2CTSA
SCHEMBL23854850 0.78 SCN9A (0.35) AAK1
SCHEMBL23854838 0.78 AR (0.34) SSTR2IDO1

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 KDM5A 2862/4885AAK1 3808/4885CYP3A4 4315/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KDM5A 4485/4885AAK1 2449/4885CYP3A4 4879/4885

“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.