SCHEMBL21153017

SCHEMBL21153017

CC1CCc2nnc(C(C)(C)C)n21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP3K5 Q99683 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
MAP4K1 Q92918 2/20 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
SCHEMBL23137600 0.77
SCHEMBL23137872 0.75 MAP3K5 (0.35) MAP3K5
SCHEMBL22484670 0.74 MAP3K5 (0.36) MAP3K5
SCHEMBL21152439 0.74 MAP3K5 (0.36) MAP3K5
SCHEMBL23638592 0.72
SCHEMBL22485317 0.69 DPP4 (0.33) MAP3K5
SCHEMBL21152441 0.69 DPP4 (0.33) MAP3K5
SCHEMBL22485322 0.69 DPP4 (0.33) MAP3K5
SCHEMBL21152461 0.69 DPP4 (0.33) MEN1KMT2AMAP3K5
SCHEMBL25100331 0.63 POLB (0.41) MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210213006-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES Seal Rock Therapeutics, Inc. 2021-07-15 US disclosed
US-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. 2021-03-25 US disclosed
WO-2020046975-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES Seal Rock Therapeutics, Inc. (US) 2020-03-05 WO disclosed
WO-2019136025-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF Seal Rock Therapeutics, Inc. (US) 2019-07-11 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-20210087167-A1 ASK1 INHIBITOR COMPOUNDS AND USES THEREOF ATF1, MAP3K1, ROCK1 MEN1 2899/4885KMT2A 2818/4885MAP3K5 20/4885
US-20210213006-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES SNCA, MAPT, HTT MEN1 3454/4885KMT2A 1095/4885MAP3K5 158/4885

“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.