SCHEMBL21885698

SCHEMBL21885698

Cc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC(=N)N)c1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPIA P62937 4/20 0.33
PIP4K2A P48426 1/20 0.33
AR P10275 1/20 0.32
HSD17B14 Q9BPX1 1/20 0.31
CTSA P10619 1/20 0.31
PKMYT1 Q99640 2/20 0.30
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR7 P34969 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
SCHEMBL23854887 0.89 PKMYT1 (0.35) PPIAARCTSAPKMYT1HTR1A
SCHEMBL23854877 0.89 PPIA (0.39) PPIAARHSD17B14
SCHEMBL21884627 0.89 PPIA (0.33) PPIAARCTSA
SCHEMBL21884398 0.88 PPIA (0.31) PPIA
SCHEMBL21884438 0.87 PPIA (0.33) PPIAPIP4K2AARHSD17B14
SCHEMBL21884568 0.87 AR (0.38) AR
SCHEMBL21884352 0.85 AR (0.42) PPIAAR
SCHEMBL21884788 0.84 PPIA (0.40) PPIAAR
SCHEMBL21884631 0.83 ESR2 (0.36) PPIAAR
SCHEMBL23854842 0.83 PPIA (0.35) PPIA

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 PPIA 1961/4885PIP4K2A 3952/4885AR 3072/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PPIA 2399/4885PIP4K2A 2525/4885AR 4315/4885

“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.