SCHEMBL21884366

SCHEMBL21884366

COc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
POLB P06746 1/20 0.34
PNLIP P16233 1/20 0.34
WDR5 P61964 5/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL24066342 0.91 PGR (0.39) NISCHPGRARPOLBWDR5
SCHEMBL21884368 0.90 WDR5 (0.35) NISCHPGRARPOLBWDR5
SCHEMBL23875072 0.89 NISCH (0.38) NISCHWDR5CD274LMNAMEN1
SCHEMBL21884602 0.89 ADRA2A (0.35) NISCHWDR5PDCD1LG2CD274LMNA
SCHEMBL21884493 0.86 WDR5 (0.34) JAK2NISCHWDR5PDCD1LG2CD274
SCHEMBL21885710 0.86 POLQ (0.36) JAK2WDR5PDCD1LG2CD274LMNA
SCHEMBL21884420 0.86 WDR5 (0.33) NISCHWDR5PDCD1LG2CD274LMNA
SCHEMBL24066340 0.85 NISCH (0.35) NISCHWDR5PDCD1LG2CD274MEN1
SCHEMBL21884358 0.84 EPAS1 (0.38) NISCHPOLBWDR5LMNAMAPT
SCHEMBL23875079 0.84 CCNT1 (0.42)

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 JAK2 4692/4885NISCH 1713/4885PGR 3024/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 JAK2 3476/4885NISCH 4403/4885PGR 4621/4885

“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.