SCHEMBL21884534

SCHEMBL21884534

Cc1ccc(F)c(-c2c(C#N)ccc(O)c2C(=O)NC(=N)N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.35
KDM1A O60341 3/20 0.34
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
PLAU P00749 2/20 0.34
PLAT P00750 2/20 0.34
S1PR3 Q99500 5/20 0.33
SLC9A1 P19634 1/20 0.33
CNR2 P34972 1/20 0.33
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
AR P10275 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR4 O95977 1/20 0.32
LRRK2 Q5S007 1/20 0.32
PLG P00747 1/20 0.32
KCNMA1 Q12791 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL23854851 0.89 PPIA (0.36) PPIAS1PR3SLC9A1CNR2HSD17B1
SCHEMBL21884641 0.88 TMPRSS4 (0.40) PPIAF2F10PLAUPLAT
SCHEMBL21884399 0.87 GAA (0.35) PPIAF2F10PLAUPLAT
SCHEMBL21884458 0.87 S1PR3 (0.37) KDM1AF2F10PLAUPLAT
SCHEMBL21884361 0.85 PPIA (0.39) PPIAHSD17B1HSD17B2ARMEN1
SCHEMBL21884788 0.84 PPIA (0.40) PPIACNR2ARMEN1KMT2A
SCHEMBL23854842 0.83 PPIA (0.35) PPIASLC9A1
SCHEMBL21884418 0.83 S1PR3 (0.37) PPIAS1PR3CNR2S1PR1S1PR4
SCHEMBL21884453 0.82 KDM4E (0.34) KDM1AF2F10PLAUPLAT
SCHEMBL21884648 0.81 CNR2 (0.37) F2F10PLAUPLATCNR2

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 1961/4885KDM1A 3228/4885F2 4663/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PPIA 2399/4885KDM1A 4569/4885F2 4520/4885

“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.