SCHEMBL23854872

SCHEMBL23854872

COc1c(F)cccc1-c1c(C#N)ccc(O)c1C(=O)N=C1NCCN1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
AR P10275 2/20 0.31
PGR P06401 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
CTSA P10619 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
ROCK2 O75116 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
SCHEMBL21884537 0.89 AR (0.31) HCRTR1HCRTR2ARPGR
SCHEMBL23854855 0.89 KDM4E (0.32) ARPGRCTSA
SCHEMBL21884798 0.87 BCAT1 (0.34) CCNT1CDK9
SCHEMBL21884485 0.87 CUL4A (0.33) ARPGR
SCHEMBL21884535 0.86 AR (0.35) ARPGRCTSA
SCHEMBL23854837 0.86
SCHEMBL23854884 0.85 PDK2 (0.31)
SCHEMBL23854862 0.84 PGR (0.40) ARPGR
SCHEMBL21884539 0.84 USP30 (0.34)
SCHEMBL21884799 0.83 PIM1 (0.35)

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 4 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

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 HCRTR1 2928/4885HCRTR2 2665/4885AR 3072/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 HCRTR1 4797/4885HCRTR2 4755/4885AR 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.