SCHEMBL23854877

SCHEMBL23854877

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1-c1cccc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPIA P62937 5/20 0.39
BCAT1 P54687 1/20 0.35
AR P10275 2/20 0.33
HSD17B14 Q9BPX1 1/20 0.32
CNR2 P34972 1/20 0.32
DYRK1A Q13627 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
SLC9A1 P19634 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM3 P20309 1/20 0.31
PGR P06401 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
SCHEMBL21884788 0.91 PPIA (0.40) PPIAARCNR2MEN1KMT2A
SCHEMBL21884438 0.89 PPIA (0.33) PPIAARHSD17B14HSD17B1HSD17B2
SCHEMBL21884443 0.89 PPIA (0.38) PPIAARCNR2MEN1KMT2A
SCHEMBL21885698 0.89 PPIA (0.33) PPIAARHSD17B14
SCHEMBL21884352 0.87 AR (0.42) PPIAARHSD17B1HSD17B2PGR
SCHEMBL21884467 0.87 PPIA (0.38) PPIABCAT1ARHSD17B14CNR2
SCHEMBL21884568 0.86 AR (0.38) ARMEN1KMT2APGR
SCHEMBL21884565 0.86 KMT2A (0.38) PPIAARMEN1KMT2APGR
SCHEMBL21884631 0.85 ESR2 (0.36) PPIAARMEN1KMT2APGR
SCHEMBL21884360 0.83 MEN1 (0.33) PPIAARMEN1KMT2A

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 PPIA 1961/4885BCAT1 149/4885AR 3072/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PPIA 2399/4885BCAT1 2390/4885AR 4315/4885

“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.