SCHEMBL21884484

SCHEMBL21884484

COc1cccnc1-c1c(C#N)ccc(O)c1C(=O)N=C1NCCN1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.33
CTSA P10619 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
THRB P10828 1/20 0.32
PLAU P00749 1/20 0.32
ABL1 P00519 1/20 0.32
NPC1 O15118 2/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CASP6 P55212 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
PGR P06401 1/20 0.31
AR P10275 1/20 0.31
CHEK1 O14757 1/20 0.31
RAB9A P51151 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
SCHEMBL23854862 0.85 PGR (0.40) MEN1KMT2ATHRBPGRAR
SCHEMBL23854850 0.84 SCN9A (0.35) PGRARALDH1A1MAPT
SCHEMBL21884535 0.82 AR (0.35) CTSAMEN1KMT2AHTR2APGR
SCHEMBL21884532 0.82 PGR (0.35) CTSAMEN1KMT2AHTR2APGR
SCHEMBL23854839 0.81 MKNK1 (0.32) RAB9AALDH1A1MAPT
SCHEMBL21884489 0.80 GSK3B (0.38) PGRARMAPKAPK2
SCHEMBL21884486 0.80 CCNT1 (0.40)
SCHEMBL23854849 0.79 KDM1A (0.35) CTSAPGRARCHEK1ALDH1A1
SCHEMBL23854840 0.78 KDM5A (0.38) CTSAMAPKAPK2
SCHEMBL21884483 0.78 AR (0.31) MEN1KMT2AAR

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 DRD2 3895/4885CTSA 822/4885MEN1 3141/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 DRD2 4767/4885CTSA 486/4885MEN1 2652/4885

“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.