SCHEMBL21884540

SCHEMBL21884540

N#Cc1ccc(O)c(C(=O)N=C2NCCN2)c1-c1cccc(Cl)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
PIM1 P11309 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL21884490 0.90 PIM1 (0.35) GAAPIM1KDM4EGLAPOLB
SCHEMBL23854837 0.88
SCHEMBL21884531 0.87 PDK2 (0.32)
SCHEMBL23854855 0.86 KDM4E (0.32) KDM4EALDH1A1L3MBTL1
SCHEMBL23854884 0.84 PDK2 (0.31)
SCHEMBL21884793 0.84 MEN1 (0.31) GAA
SCHEMBL21884539 0.83 USP30 (0.34)
SCHEMBL21884798 0.82 BCAT1 (0.34)
SCHEMBL21884532 0.82 PGR (0.35) PIM1ALDH1A1
SCHEMBL21884485 0.82 CUL4A (0.33)

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 5 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
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 GAA 220/4885PIM1 4037/4885KDM4E 2932/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 GAA 666/4885PIM1 2851/4885KDM4E 4324/4885

“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.