SCHEMBL21884485

SCHEMBL21884485

N#Cc1ccc(O)c(C(=O)N=C2NCCN2)c1-c1ccccc1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.33
CNR2 P34972 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PDK2 Q15119 1/20 0.30
PGR P06401 1/20 0.30
AR P10275 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL21884798 0.91 BCAT1 (0.34)
SCHEMBL23854837 0.90
SCHEMBL23854884 0.89 PDK2 (0.31) PDK2
SCHEMBL21884539 0.88 USP30 (0.34) PDK2
SCHEMBL23854856 0.87 HSP90AA1 (0.33) CNR2
SCHEMBL23854872 0.87 HCRTR1 (0.34) PGRAR
SCHEMBL21884490 0.87 PIM1 (0.35) ARMAOAMAOB
SCHEMBL23854858 0.86 TMPRSS4 (0.36) CNR2
SCHEMBL21884487 0.86 SLC22A12 (0.34) CYP11B1CYP11B2
SCHEMBL23854864 0.86

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 5 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
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO 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 CUL4A 3090/4885CNR2 2493/4885ACMSD 3507/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CUL4A 1149/4885CNR2 4620/4885ACMSD 4877/4885

“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.