SCHEMBL22920481

SCHEMBL22920481

CC(C)c1ccc(NCC(=O)N2CCN(c3cnc(C#N)cn3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 19/20 0.73
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45

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
SCHEMBL21406232 0.85 PANK3 (1.00) PANK3
SCHEMBL21423733 0.85 PANK3 (0.77) PANK3
SCHEMBL21423738 0.79 PANK3 (0.76) PANK3PARP1PARP2
SCHEMBL24535984 0.78 PANK3 (0.67) PANK3
SCHEMBL23750447 0.74 PANK3 (0.54) PANK3PARP1PARP2
SCHEMBL14247614 0.72 MAPT (0.57) PANK3
SCHEMBL19748680 0.71 PANK3 (0.57) PANK3PARP1PARP2
SCHEMBL19748795 0.71 PANK3 (0.77) PANK3
SCHEMBL19748346 0.71 PANK3 (1.00) PANK3
SCHEMBL19747977 0.70 PANK3 (1.00) PANK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11547709-B2 Methods of treating disorders associated with castor ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-01-10 US disclosed
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-01-28 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-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 PANK3 1573/4885PARP1 2427/4885PARP2 1486/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885PARP1 2427/4885PARP2 1486/4885

“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.