SCHEMBL21884565

SCHEMBL21884565

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
PPIA P62937 1/20 0.36
AR P10275 2/20 0.34
PGR P06401 1/20 0.34
PIP4K2A P48426 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MEN1 O00255 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
TSHR P16473 1/20 0.31
SLC22A12 Q96S37 1/20 0.30
PDE4D Q08499 1/20 0.30
TAS1R3 Q7RTX0 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
SCHEMBL21884383 0.88 L3MBTL1 (0.38) KMT2AARPGRPIP4K2ACA12
SCHEMBL23854877 0.86 PPIA (0.39) KMT2APPIAARPGRMEN1
SCHEMBL21884788 0.86 PPIA (0.40) KMT2APPIAARPGRMEN1
SCHEMBL21884568 0.86 AR (0.38) KMT2AARPGRCA12CA1
SCHEMBL21884443 0.85 PPIA (0.38) KMT2APPIAARMEN1
SCHEMBL21884591 0.83 PGR (0.44) KMT2AARPGRMEN1
SCHEMBL21885698 0.82 PPIA (0.33) PPIAARPIP4K2A
SCHEMBL21884659 0.82 PGR (0.38) KMT2AARPGRMEN1
SCHEMBL21884458 0.82 S1PR3 (0.37) KMT2AMEN1
SCHEMBL21884631 0.81 ESR2 (0.36) KMT2APPIAARPGRMEN1

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 KMT2A 1645/4885PPIA 1961/4885AR 3072/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KMT2A 3637/4885PPIA 2399/4885AR 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.