SCHEMBL21884432

SCHEMBL21884432

N#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1cc(Cl)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.40
WDR5 P61964 8/20 0.38
P2RX1 P51575 2/20 0.36
GRM4 Q14833 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL21884376 0.91 PDE4B (0.37) TMPRSS4WDR5P2RX1GRM4LRRK2
SCHEMBL21884437 0.91 WDR5 (0.35) WDR5GRM4LRRK2TAS1R3TAS1R1
SCHEMBL21884427 0.90 NISCH (0.42) WDR5HTTLRRK2
SCHEMBL21884363 0.87 NISCH (0.41) WDR5GRM4
SCHEMBL21884629 0.87 WDR5 (0.40) WDR5S1PR3
SCHEMBL21884493 0.86 WDR5 (0.34) WDR5P2RX1GRM4
SCHEMBL24066323 0.86 WDR5 (0.40) WDR5
SCHEMBL21884371 0.85 ABL1 (0.36) WDR5
SCHEMBL21884603 0.84 WDR5 (0.38) TMPRSS4WDR5P2RX1LRRK2
SCHEMBL21884640 0.84 NISCH (0.35) WDR5HTT

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 3 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
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 TMPRSS4 1380/4885WDR5 3394/4885P2RX1 3206/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 TMPRSS4 3136/4885WDR5 1567/4885P2RX1 4811/4885

“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.