SCHEMBL21884543

SCHEMBL21884543

CC1(C)CNC(=NC(=O)c2c(O)ccc(C#N)c2-c2cncc(Cl)c2)NC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
LRRK2 Q5S007 1/20 0.31
FASN P49327 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
SCHEMBL23854843 0.89 CYP11B2 (0.38) CYP11B1CYP11B2
SCHEMBL23854875 0.87 CYP11B2 (0.40) CYP11B1CYP11B2LRRK2
SCHEMBL23854876 0.82 MAOA (0.36) FASN
SCHEMBL23854868 0.79 KDM5A (0.36) LRRK2
SCHEMBL21884620 0.79 CYP11B1 (0.34) CYP11B1CYP11B2LRRK2
SCHEMBL21884795 0.75 KDM4E (0.38) LRRK2FASN
SCHEMBL23854845 0.74 KDM4E (0.38) CYP11B1CYP11B2FASN
SCHEMBL23854852 0.73 CCNT1 (0.38)
SCHEMBL21884542 0.73
SCHEMBL23854847 0.73 RIPK3 (0.34)

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 CYP11B1 735/4885CYP11B2 769/4885LRRK2 3750/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 CYP11B1 4297/4885CYP11B2 4207/4885LRRK2 623/4885

“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.