SCHEMBL21884579

SCHEMBL21884579

COc1ncncc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCCN1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA2B P08514 1/20 0.32
ITGB5 P18084 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
ATR Q13535 1/20 0.31
GPR6 P46095 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 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
SCHEMBL21884574 0.95 WDR5 (0.32) PDE4APDE4BPDE4CPDE4DATR
SCHEMBL21884616 0.87 WDR5 (0.40) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL21884400 0.86 CSNK2A1 (0.35) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL21884353 0.85 GPR6 (0.32) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL21884494 0.84 ITGB3 (0.34) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL21884462 0.82 GPR6 (0.36) GPR6
SCHEMBL21884425 0.82 ITGB3 (0.35) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL21884406 0.81 WDR5 (0.44) GPR6
SCHEMBL21884369 0.81 WDR5 (0.36) ATR
SCHEMBL21884421 0.80 WDR5 (0.35) GPR6

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 ITGB3 4264/4885ITGB1 4542/4885ITGAV 3704/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 ITGB3 3532/4885ITGB1 3676/4885ITGAV 3045/4885

“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.