SCHEMBL21884489

SCHEMBL21884489

COc1ccncc1-c1c(C#N)ccc(O)c1C(=O)N=C1NCCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.38
SLC22A12 Q96S37 1/20 0.38
RIPK3 Q9Y572 2/20 0.37
CSNK2A1 P68400 1/20 0.34
CYP11B2 P19099 1/20 0.32
MAPKAPK2 P49137 2/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
NAAA Q02083 1/20 0.32
AR P10275 2/20 0.31
PGR P06401 1/20 0.31
PRKCQ Q04759 1/20 0.31
DYRK1A Q13627 1/20 0.31
JAK2 O60674 1/20 0.31
CDK2 P24941 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
SYK P43405 1/20 0.31
PIK3CG P48736 1/20 0.31
MAPK10 P53779 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 0.87 PGR (0.40) GSK3BARPGR
SCHEMBL23854849 0.85 KDM1A (0.35) ARPGRDYRK1A
SCHEMBL21884487 0.85 SLC22A12 (0.34) SLC22A12CYP11B2
SCHEMBL23854841 0.85 PDE4A (0.32) SLC22A12
SCHEMBL21884486 0.83 CCNT1 (0.40)
SCHEMBL21884535 0.82 AR (0.35) ARPGR
SCHEMBL21884532 0.82 PGR (0.35) ARPGR
SCHEMBL21884654 0.81 PDE4A (0.31)
SCHEMBL23854850 0.80 SCN9A (0.35) NAAAARPGR
SCHEMBL21884484 0.80 DRD2 (0.33) MAPKAPK2ARPGR

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 GSK3B 3527/4885SLC22A12 58/4885RIPK3 4476/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 GSK3B 3700/4885SLC22A12 3945/4885RIPK3 2336/4885

“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.