SCHEMBL23854871

SCHEMBL23854871

Cn1nccc1-c1c(C#N)ccc(O)c1C(=O)N=C1NCCN1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.33
PDK2 Q15119 2/20 0.33
PDK3 Q15120 2/20 0.33
PDK4 Q16654 2/20 0.33
USP7 Q93009 1/20 0.33
NT5E P21589 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HSD17B10 Q99714 1/20 0.31
USP30 Q70CQ3 1/20 0.31
OTUD7B Q6GQQ9 3/20 0.31
CD274 Q9NZQ7 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SCN9A Q15858 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
SCHEMBL23854848 0.78 KDM5A (0.35)
SCHEMBL21884792 0.78 MAOA (0.37) ALDH1A1
SCHEMBL23854861 0.77 LRRK2 (0.33)
SCHEMBL23854839 0.76 MKNK1 (0.32) ALDH1A1MAPT
SCHEMBL21884372 0.76 SMN1; SMN2 (0.33) PDK1PDK2PDK3PDK4USP7
SCHEMBL23854845 0.75 KDM4E (0.38) HSD17B10POLBHTTALDH1A1MAPT
SCHEMBL23854891 0.75 BLM (0.33)
SCHEMBL21884485 0.74 CUL4A (0.33) PDK2
SCHEMBL21884490 0.74 PIM1 (0.35) SMN1; SMN2HSD17B10POLBHTTALDH1A1
SCHEMBL23854862 0.74 PGR (0.40) SMN1; SMN2HSD17B10ALDH1A1MAPT

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-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

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 PDK1 724/4885PDK2 631/4885PDK3 818/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PDK1 2822/4885PDK2 3528/4885PDK3 3665/4885

“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.