SCHEMBL21884494

SCHEMBL21884494

COc1cnccc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCCN1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.34
ITGAV P06756 3/20 0.34
ITGA2B P08514 3/20 0.34
ITGB1 P05556 2/20 0.34
ITGB5 P18084 2/20 0.34
RIPK3 Q9Y572 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
RUVBL1 Q9Y265 1/20 0.33
POLB P06746 1/20 0.33
AR P10275 1/20 0.32
POLQ O75417 1/20 0.32
AKT1 P31749 3/20 0.31
MGAM O43451 1/20 0.31
AMY1A P0DUB6 1/20 0.31
ATR Q13535 1/20 0.31
WDR5 P61964 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GPR6 P46095 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
SCHEMBL21884480 0.95 WDR5 (0.34) RIPK3SLC22A12ARPOLQWDR5
SCHEMBL21884400 0.93 CSNK2A1 (0.35) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL21884369 0.88 WDR5 (0.36) RIPK3SLC22A12ARATRWDR5
SCHEMBL21884425 0.86 ITGB3 (0.35) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL21884579 0.84 ITGB3 (0.32) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL21884465 0.84 AR (0.33) RIPK3SLC22A12POLBARPOLQ
SCHEMBL21884359 0.84 RIPK3 (0.32) RIPK3SLC22A12POLBARPOLQ
SCHEMBL21884660 0.84 CCNT1 (0.40)
SCHEMBL24066342 0.84 PGR (0.39) POLBARWDR5
SCHEMBL21884616 0.83 WDR5 (0.40) ITGB3ITGAVITGA2BITGB1ITGB5

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 ITGB3 4264/4885ITGAV 3704/4885ITGA2B 3898/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 ITGB3 3532/4885ITGAV 3045/4885ITGA2B 3236/4885

“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.