SCHEMBL21884564

SCHEMBL21884564

COc1ccncc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCC(C)(C)CN1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
ATR Q13535 4/20 0.34
RIPK3 Q9Y572 1/20 0.34
EGFR P00533 1/20 0.32
ABL1 P00519 2/20 0.32
AR P10275 1/20 0.32
GSK3B P49841 1/20 0.31
GAA P10253 1/20 0.31
CYP11B2 P19099 1/20 0.30
GPR6 P46095 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RET P07949 1/20 0.30
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL21884359 0.93 RIPK3 (0.32) SLC22A12ATRRIPK3ABL1AR
SCHEMBL21884605 0.87 CCNT1 (0.40)
SCHEMBL21884369 0.86 WDR5 (0.36) CSNK2A1SLC22A12ATRRIPK3EGFR
SCHEMBL21884570 0.85 CCNT1 (0.34) ABL1RET
SCHEMBL21884465 0.85 AR (0.33) SLC22A12ATRRIPK3ABL1AR
SCHEMBL21884400 0.84 CSNK2A1 (0.35) CSNK2A1SLC22A12ATRRIPK3EGFR
SCHEMBL21884562 0.84 RET (0.35) ABL1GPR6RET
SCHEMBL21884422 0.82 CYP11B1 (0.38) ABL1ARGSK3BCYP11B2RET
SCHEMBL21884668 0.82 GPR6 (0.32) ARGPR6
SCHEMBL21884448 0.80 MAPT (0.35) GAAALDH1A1RET

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 CSNK2A1 2179/4885SLC22A12 58/4885ATR 2970/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CSNK2A1 530/4885SLC22A12 3945/4885ATR 3164/4885

“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.