SCHEMBL21884417

SCHEMBL21884417

N#Cc1ccc(O)c(C(=O)NC(=N)N)c1-c1ccc(F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.35
PYGL P06737 2/20 0.35
RORC P51449 1/20 0.33
PTPN11 Q06124 1/20 0.32
GRM2 Q14416 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
NR3C2 P08235 2/20 0.32
P2RX1 P51575 1/20 0.32
CTSL P07711 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SCN9A Q15858 1/20 0.31
AR P10275 1/20 0.31
CASP1 P29466 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
SCHEMBL21885702 0.92 PPIA (0.35) PPIAPYGLRORCTAS1R3TAS1R1
SCHEMBL23854851 0.87 PPIA (0.36) PPIATAS1R3TAS1R1TAS1R2P2RX1
SCHEMBL21884362 0.87 MRGPRX4 (0.38) PPIAPTPN11P2RX1AR
SCHEMBL21884418 0.85 S1PR3 (0.37) PPIATAS1R3TAS1R1TAS1R2P2RX1
SCHEMBL23854842 0.85 PPIA (0.35) PPIA
SCHEMBL21884434 0.84 L3MBTL1 (0.38) PPIATAS1R3TAS1R1TAS1R2NPC1
SCHEMBL21884641 0.84 TMPRSS4 (0.40) PPIATAS1R3TAS1R1TAS1R2P2RX1
SCHEMBL21884438 0.83 PPIA (0.33) PPIATAS1R3TAS1R1TAS1R2P2RX1
SCHEMBL21884530 0.83 TMPRSS4 (0.40) PPIAP2RX1
SCHEMBL21885734 0.82 CCNT1 (0.42) AR

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-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 PPIA 1961/4885PYGL 274/4885RORC 4468/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PPIA 2399/4885PYGL 2138/4885RORC 3790/4885

“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.