SCHEMBL22165358

SCHEMBL22165358

CSc1ncc(C=O)c(NC23CC(C2)C3)n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.33
▸ MAPK9 P45984 2/20 0.33
▸ GABBR2 O75899 1/20 0.32
▸ GABBR1 Q9UBS5 1/20 0.32
▸ MERTK Q12866 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ BCDIN3D Q7Z5W3 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL29507863 1.00 MAPK8 (0.33) MAPK8MAPK9GABBR2GABBR1MERTK
SCHEMBL22171130 0.81 MERTK (0.30) MERTK
SCHEMBL22171345 0.80 KDM4E (0.30) —
SCHEMBL13734226 0.78 MAPK8 (0.44) MAPK8MAPK9MEN1KMT2AGSK3A
SCHEMBL13735566 0.77 MAPK8 (0.57) MAPK8MAPK9MEN1KMT2AALDH1A1
SCHEMBL24618927 0.77 MAPK8 (0.33) MAPK8MAPK9GABBR2GABBR1MERTK
SCHEMBL30801506 0.77 KDM4E (0.38) MAPK8MAPK9GABBR2GABBR1MERTK
SCHEMBL22860597 0.77 HTT (0.44) MAPK8MAPK9GABBR2GABBR1MERTK
SCHEMBL13736418 0.77 KDM4E (0.38) MAPK8MAPK9GABBR2GABBR1MERTK
SCHEMBL30597068 0.76 MERTK (0.37) MAPK8GABBR2GABBR1MERTKMEN1

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-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 — — US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 — — US disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 — — WO disclosed
WO-2020140053-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 — — 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-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK MAPK8 221/4885MAPK9 166/4885GABBR2 4672/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK MAPK8 221/4885MAPK9 166/4885GABBR2 4672/4885

“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.

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