SCHEMBL21884465

SCHEMBL21884465

COc1cnccc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCC(F)(F)CN1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.33
RIPK3 Q9Y572 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
ATR Q13535 3/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
POLQ O75417 1/20 0.31
CACNA1H O95180 2/20 0.31
ABL1 P00519 1/20 0.30
GPR6 P46095 1/20 0.30
IKBKE Q14164 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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 0.92 RIPK3 (0.32) ARRIPK3SLC22A12ATRGPBAR1
SCHEMBL21884480 0.86 WDR5 (0.34) ARRIPK3SLC22A12POLQALDH1A1
SCHEMBL21884632 0.86 CCNT1 (0.40)
SCHEMBL21884564 0.85 CSNK2A1 (0.34) ARRIPK3SLC22A12ATRABL1
SCHEMBL21884494 0.84 ITGB3 (0.34) ARRIPK3SLC22A12ATRPOLQ
SCHEMBL21884500 0.84 WDR5 (0.33) SLC22A12GPBAR1POLQGPR6
SCHEMBL21884570 0.80 CCNT1 (0.34) POLQABL1
SCHEMBL21884655 0.80 LRRK2 (0.36) ATRABL1
SCHEMBL23854859 0.79 CYP11B2 (0.37) AR
SCHEMBL21884582 0.79 MAPT (0.33) ALDH1A1POLB

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 AR 3072/4885RIPK3 4476/4885SLC22A12 58/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 AR 4315/4885RIPK3 2336/4885SLC22A12 3945/4885

“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.