SCHEMBL21884480

SCHEMBL21884480

COc1cnccc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCN1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 10/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
AR P10275 1/20 0.33
POLQ O75417 1/20 0.33
PTGIR P43119 1/20 0.33
LMNA P02545 1/20 0.32
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL21884494 0.95 ITGB3 (0.34) WDR5SLC22A12RIPK3ARPOLQ
SCHEMBL21884369 0.93 WDR5 (0.36) WDR5ADRA2AADRA2BADRA2CADRA1D
SCHEMBL24066342 0.89 PGR (0.39) WDR5ADRA2AADRA2BADRA2CADRA1D
SCHEMBL21884400 0.88 CSNK2A1 (0.35) WDR5SLC22A12RIPK3AR
SCHEMBL21884401 0.86 WDR5 (0.36) WDR5POLQ
SCHEMBL21884465 0.86 AR (0.33) SLC22A12RIPK3ARPOLQALDH1A1
SCHEMBL21884359 0.86 RIPK3 (0.32) SLC22A12RIPK3ARPOLQALDH1A1
SCHEMBL21884435 0.85 ALDH1A1 (0.36) WDR5ADRA2AADRA2BADRA2CADRA1D
SCHEMBL23875079 0.84 CCNT1 (0.42)
SCHEMBL21884368 0.84 WDR5 (0.35) WDR5ADRA2AADRA2BADRA2CADRA1D

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 WDR5 3394/4885ADRA2A 1172/4885ADRA2B 1600/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 WDR5 1567/4885ADRA2A 4422/4885ADRA2B 4546/4885

“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.