SCHEMBL21884640

SCHEMBL21884640

N#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1cccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.35
BCAT1 P54687 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
ADRA1D P25100 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 2/20 0.32
ALOX5 P09917 1/20 0.32
WDR5 P61964 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
HTT P42858 1/20 0.31
NOD2 Q9HC29 1/20 0.31
PPIA P62937 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
SCHEMBL21884463 0.93 NISCH (0.38) NISCHADRA1DSLC6A3ADRA2AADRA2B
SCHEMBL21884363 0.92 NISCH (0.41) NISCHADRA1DSLC6A3ADRA2AADRA2B
SCHEMBL21884636 0.91 NISCH (0.34) NISCHADRA1DSLC6A3ADRA2AADRA2B
SCHEMBL21884493 0.91 WDR5 (0.34) NISCHADRA1DSLC6A3ADRA2AADRA2B
SCHEMBL21884365 0.91 NISCH (0.38) NISCHADRA1DSLC6A3ADRA2AADRA2B
SCHEMBL24066340 0.89 NISCH (0.35) NISCHCCNT1CDK9ADRA1DSLC6A3
SCHEMBL21884368 0.88 WDR5 (0.35) NISCHADRA1DSLC6A3ADRA2AADRA2B
SCHEMBL21884373 0.87 NISCH (0.38) NISCHADRA1DSLC6A3ADRA2AADRA2B
SCHEMBL23875072 0.85 NISCH (0.38) NISCHADRA1DSLC6A3ADRA2AADRA2B
SCHEMBL21884424 0.85 ITGB3 (0.32) ALOX5JAK2JAK1TYK2

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 NISCH 1713/4885BCAT1 149/4885CCNT1 4085/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 NISCH 4403/4885BCAT1 2390/4885CCNT1 4017/4885

“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.