SCHEMBL21884594

SCHEMBL21884594

Cc1c(C#N)ccc(O)c1C(=O)NC(=N)N

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.34
AR P10275 4/20 0.33
PKMYT1 Q99640 2/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
PSMD14 O00487 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 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
SCHEMBL21884614 0.83
SCHEMBL21884598 0.83 CXCR1 (0.35) LRRK2ARSMN1; SMN2GAA
SCHEMBL21884517 0.83 HSD17B1 (0.34) SMN1; SMN2GAA
SCHEMBL23854892 0.82 LRRK2 (0.38) LRRK2ARF2F10PLAU
SCHEMBL21884491 0.82 GAA (0.31) SMN1; SMN2GAA
SCHEMBL21884453 0.82 KDM4E (0.34) ARF2F10PLAUPLAT
SCHEMBL21884648 0.81 CNR2 (0.37) ARF2F10PLAUPLAT
SCHEMBL23854887 0.81 PKMYT1 (0.35) ARPKMYT1F2F10PLAU
SCHEMBL21884429 0.80 LRRK2 (0.33) LRRK2ALDH1A1
SCHEMBL21884627 0.80 PPIA (0.33) LRRK2ARKDM4EMEN1ALDH1A1

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 LRRK2 3750/4885AR 3072/4885PKMYT1 1046/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 LRRK2 623/4885AR 4315/4885PKMYT1 2325/4885

“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.