SCHEMBL21884469

SCHEMBL21884469

CNC(=N)NC(=O)c1c(O)ccc(C#N)c1-c1ccncc1F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.35
SLC22A12 Q96S37 2/20 0.34
GPBAR1 Q8TDU6 2/20 0.32
XIAP P98170 1/20 0.31
BIRC2 Q13490 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL21884381 0.88 XIAP (0.35) RPS6KA3SLC22A12XIAPBIRC2
SCHEMBL21884351 0.86 SLC22A12 (0.36) SLC22A12GPBAR1XIAPBIRC2
SCHEMBL21884467 0.81 PPIA (0.38)
SCHEMBL21884354 0.81 GPR6 (0.32)
SCHEMBL21884563 0.80 PPIA (0.37)
SCHEMBL21884379 0.80 PPIA (0.34)
SCHEMBL21884404 0.80 GPBAR1 (0.35) SLC22A12GPBAR1
SCHEMBL21884409 0.80 PPIA (0.36)
SCHEMBL21884615 0.78 CCNT1 (0.35)
SCHEMBL23854863 0.76 CCNT1 (0.41)

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 RPS6KA3 2190/4885SLC22A12 58/4885GPBAR1 292/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 RPS6KA3 315/4885SLC22A12 3945/4885GPBAR1 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.