SCHEMBL21884535

SCHEMBL21884535

COc1cccc(-c2c(C#N)ccc(O)c2C(=O)N=C2NCCN2)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.35
PGR P06401 2/20 0.35
ERN1 O75460 1/20 0.33
EGFR P00533 1/20 0.33
PIM1 P11309 1/20 0.33
MET P08581 1/20 0.32
AXL P30530 1/20 0.32
FASN P49327 1/20 0.31
DHODH Q02127 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CTSA P10619 1/20 0.31
HTR2A P28223 3/20 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
SCHEMBL23854862 0.90 PGR (0.40) ARPGRFASNMEN1KMT2A
SCHEMBL21884532 0.89 PGR (0.35) ARPGREGFRPIM1FASN
SCHEMBL21884539 0.88 USP30 (0.34)
SCHEMBL21884569 0.88 AR (0.34) ARPGRERN1EGFRPIM1
SCHEMBL21884798 0.87 BCAT1 (0.34)
SCHEMBL23854872 0.86 HCRTR1 (0.34) ARPGRCTSA
SCHEMBL21884483 0.86 AR (0.31) ARMEN1KMT2A
SCHEMBL21884486 0.86 CCNT1 (0.40)
SCHEMBL23875062 0.84 CTSA (0.34) ERN1METAXLDHODHCTSA
SCHEMBL21884537 0.83 AR (0.31) ARPGR

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 AR 3072/4885PGR 3024/4885ERN1 2697/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 AR 4315/4885PGR 4621/4885ERN1 1204/4885

“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.