SCHEMBL21884440

SCHEMBL21884440

COc1ccc(F)cc1-c1c(C#N)c(C)cc(O)c1C(=O)NC(=N)N

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 13/20 0.36
CDK9 P50750 13/20 0.36
SLC9A1 P19634 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR3C1 P04150 2/20 0.35
PGR P06401 2/20 0.35
NR3C2 P08235 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL23875018 0.85 CCNT1 (0.35) CCNT1CDK9NR3C1PGRNR3C2
SCHEMBL21885734 0.84 CCNT1 (0.42) CCNT1CDK9SLC9A1PGRALDH1A1
SCHEMBL21884444 0.79 PYGL (0.40) SLC9A1KDM4EALDH1A1
SCHEMBL21884621 0.75 CCNT1 (0.34) CCNT1CDK9
SCHEMBL23854842 0.75 PPIA (0.35) CCNT1CDK9SLC9A1PGRALDH1A1
SCHEMBL23854863 0.74 CCNT1 (0.41) CCNT1CDK9ALDH1A1
SCHEMBL21884382 0.73 ALDH1A1 (0.37) CCNT1CDK9KDM4EPGRALDH1A1
SCHEMBL21884375 0.73 ALDH1A1 (0.40) CCNT1CDK9PGRALDH1A1
SCHEMBL21884581 0.73 KCNMA1 (0.42) SLC9A1KDM4EPGRALDH1A1
SCHEMBL23854878 0.72 CCNT1 (0.41) CCNT1CDK9SLC9A1ALDH1A1

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 3 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-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 CCNT1 4085/4885CDK9 4006/4885SLC9A1 125/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CCNT1 4017/4885CDK9 2832/4885SLC9A1 4677/4885

“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.