SCHEMBL21884544

SCHEMBL21884544

N#C/N=C(\N)NC(=O)c1c(O)ccc(C#N)c1-c1cccc(F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPIA P62937 4/20 0.36
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
SCN5A Q14524 1/20 0.30
SCN2A Q99250 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PDK2 Q15119 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
SCHEMBL23854867 1.00 PPIA (0.36) PPIAESR1ESR2SCN5ASCN2A
SCHEMBL23854869 1.00 PPIA (0.36) PPIAESR1ESR2SCN5ASCN2A
SCHEMBL21884443 0.87 PPIA (0.38) PPIAESR1ESR2MEN1KMT2A
SCHEMBL21885717 0.82 MRGPRX4 (0.41)
SCHEMBL21884409 0.81 PPIA (0.36) PPIAMEN1KMT2A
SCHEMBL21884474 0.80 PPIA (0.36) PPIA
SCHEMBL23875082 0.79 MAOA (0.36) PPIASCN5ASCN2AMEN1KMT2A
SCHEMBL21884360 0.77 MEN1 (0.33) PPIAMEN1KMT2APDK2
SCHEMBL23854877 0.76 PPIA (0.39) PPIAMEN1KMT2A
SCHEMBL21884572 0.76 TAS1R3 (0.33) PPIAMEN1KMT2A

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 PPIA 1961/4885ESR1 4752/4885ESR2 3315/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PPIA 2399/4885ESR1 4321/4885ESR2 3308/4885

“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.