SCHEMBL21884616

SCHEMBL21884616

COc1ncc(F)cc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCCN1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.40
GPR6 P46095 9/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
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
POLQ O75417 1/20 0.32
CCNT1 O60563 4/20 0.32
CDK9 P50750 4/20 0.32
SCN9A Q15858 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 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
SCHEMBL21884406 0.95 WDR5 (0.44) WDR5GPR6GPBAR1POLQCCNT1
SCHEMBL21884660 0.87 CCNT1 (0.40) CCNT1CDK9
SCHEMBL21884579 0.87 ITGB3 (0.32) GPR6ITGB3ITGB1ITGAVITGA2B
SCHEMBL21884500 0.86 WDR5 (0.33) WDR5GPR6GPBAR1POLQCCNT1
SCHEMBL21884562 0.85 RET (0.35) WDR5GPR6GPBAR1POLQCCNT1
SCHEMBL21884425 0.85 ITGB3 (0.35) WDR5ITGB3ITGB1ITGAVITGA2B
SCHEMBL21884353 0.83 GPR6 (0.32) GPR6GPBAR1ITGB3ITGB1ITGAV
SCHEMBL21884494 0.83 ITGB3 (0.34) WDR5GPR6ITGB3ITGB1ITGAV
SCHEMBL21884400 0.83 CSNK2A1 (0.35) WDR5ITGB3ITGB1ITGAVITGA2B
SCHEMBL21884421 0.82 WDR5 (0.35) WDR5GPR6

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 3394/4885GPR6 1334/4885GPBAR1 292/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 WDR5 1567/4885GPR6 4070/4885GPBAR1 4201/4885

“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.