SCHEMBL21884532

SCHEMBL21884532

COc1cccc(-c2c(C#N)ccc(O)c2C(=O)N=C2NCCN2)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
FASN P49327 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
EGFR P00533 1/20 0.33
PIM1 P11309 1/20 0.33
PTPN11 Q06124 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CTSA P10619 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR2A P28223 3/20 0.31
UCHL1 P09936 1/20 0.30
P4HB P07237 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
SCHEMBL23854862 0.90 PGR (0.40) PGRARFASNMEN1KMT2A
SCHEMBL21884535 0.89 AR (0.35) PGRARFASNMEN1KMT2A
SCHEMBL21884531 0.88 PDK2 (0.32)
SCHEMBL21884793 0.87 MEN1 (0.31) MEN1KMT2A
SCHEMBL23854855 0.86 KDM4E (0.32) PGRARFASNPTPN11ALDH1A1
SCHEMBL23854884 0.85 PDK2 (0.31)
SCHEMBL21884537 0.83 AR (0.31) PGRAR
SCHEMBL23854872 0.83 HCRTR1 (0.34) PGRARCTSA
SCHEMBL21884486 0.83 CCNT1 (0.40)
SCHEMBL21884490 0.83 PIM1 (0.35) ARMEN1KMT2APIM1ALDH1A1

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 PGR 3024/4885AR 3072/4885FASN 2903/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PGR 4621/4885AR 4315/4885FASN 3814/4885

“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.