SCHEMBL21884800

SCHEMBL21884800

Cc1ccc(Cl)c(-c2c(C#N)ccc(O)c2C(=O)N=C2NCCN2)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 3/20 0.32
LMNA P02545 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
MET P08581 1/20 0.31
PIM1 P11309 2/20 0.30
KDM1A O60341 1/20 0.30
RAB9A P51151 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
SCHEMBL21884794 0.88 PIM1 (0.31) PIM1
SCHEMBL21884797 0.88 P2RX7 (0.32) MET
SCHEMBL21884796 0.88 NISCH (0.34) HPGDSMN1; SMN2MAPTPIM1KDM1A
SCHEMBL21884490 0.85 PIM1 (0.35) KDM4EHPGDALDH1A1GAAMEN1
SCHEMBL21884793 0.82 MEN1 (0.31) HPGDGAAMEN1LMNAKMT2A
SCHEMBL23854858 0.80 TMPRSS4 (0.36) KDM4EHPGDALDH1A1MEN1LMNA
SCHEMBL21884540 0.80 GAA (0.33) KDM4EALDH1A1GAAPIM1
SCHEMBL21884531 0.80 PDK2 (0.32)
SCHEMBL23854855 0.79 KDM4E (0.32) KDM4EHPGDALDH1A1LMNAHTT
SCHEMBL23854839 0.78 MKNK1 (0.32) KDM4EALDH1A1GAAMAPTRAB9A

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 KDM4E 2932/4885HPGD 879/4885ALDH1A1 1823/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KDM4E 4324/4885HPGD 3683/4885ALDH1A1 4382/4885

“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.