SCHEMBL21884538

SCHEMBL21884538

N#Cc1ccc(O)c(C(=O)NC(=N)NCCO)c1-c1cccc(F)c1C#N

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.35
CD274 Q9NZQ7 3/20 0.35
PDCD1 Q15116 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
IKBKB O14920 3/20 0.32
ADORA1 P30542 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
ALOX5 P09917 2/20 0.30
BDKRB1 P46663 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
SCHEMBL21884497 0.92 PPIA (0.35) PPIAHIF1AIKBKBALOX5
SCHEMBL21884563 0.86 PPIA (0.37) PPIABDKRB1
SCHEMBL21884541 0.86 PPIA (0.33) PPIAHIF1A
SCHEMBL21884515 0.86 PPIA (0.33) PPIA
SCHEMBL21884508 0.85 PPIA (0.33) PPIA
SCHEMBL24066292 0.85 PPIA (0.36) PPIA
SCHEMBL21884637 0.78 CCNT1 (0.39)
SCHEMBL21884467 0.77 PPIA (0.38) PPIA
SCHEMBL21884409 0.75 PPIA (0.36) PPIAALDH1A1
SCHEMBL23854877 0.74 PPIA (0.39) PPIA

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 1961/4885CD274 4884/4885PDCD1 4818/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PPIA 2399/4885CD274 4662/4885PDCD1 3365/4885

“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.