SCHEMBL21884352

SCHEMBL21884352

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.42
PGR P06401 1/20 0.39
MPL P40238 1/20 0.34
PPIA P62937 2/20 0.33
SCN9A Q15858 4/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
P2RX1 P51575 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL21884635 0.91 AR (0.44) ARPGRPPIA
SCHEMBL21884355 0.89 AR (0.41) ARPGRPPIA
SCHEMBL23875050 0.88 AR (0.36) ARPGRMPLPPIA
SCHEMBL23854877 0.87 PPIA (0.39) ARPGRPPIAHSD17B1HSD17B2
SCHEMBL21884438 0.85 PPIA (0.33) ARPPIAHSD17B1HSD17B2P2RX1
SCHEMBL21885698 0.85 PPIA (0.33) ARPPIA
SCHEMBL21884568 0.83 AR (0.38) ARPGRCA12CA1CA2
SCHEMBL21884788 0.83 PPIA (0.40) ARPGRPPIA
SCHEMBL21884631 0.81 ESR2 (0.36) ARPGRPPIA
SCHEMBL21884443 0.81 PPIA (0.38) ARPPIAP2RX1

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 AR 3072/4885PGR 3024/4885MPL 4585/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 AR 4315/4885PGR 4621/4885MPL 2865/4885

“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.