SCHEMBL16415196

SCHEMBL16415196

CSc1ncc(C(=O)O)c(N(C)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ JAK1 P23458 7/20 0.39
▸ JAK2 O60674 4/20 0.39
▸ JAK3 P52333 3/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MERTK Q12866 1/20 0.36
▸ TYK2 P29597 1/20 0.35
▸ BTK Q06187 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.33

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
SCHEMBL16414911 0.88 MEN1 (0.43) PDE4BCKS1BSKP1SKP2JAK1
SCHEMBL16414912 0.88 MEN1 (0.43) PDE4BCKS1BSKP1SKP2JAK1
SCHEMBL30879093 0.82 MERTK (0.47) PDE4BCKS1BSKP1SKP2JAK1
SCHEMBL16415194 0.78 MERTK (0.41) PDE4BCKS1BSKP1SKP2JAK1
SCHEMBL4714436 0.73 KMT2A (0.45) MEN1KMT2A
SCHEMBL4714437 0.73 KMT2A (0.45) MEN1KMT2A
SCHEMBL30879016 0.72 ALDH1A1 (0.52) MERTKBTKMEN1KMT2A
SCHEMBL22001725 0.70 JAK1 (0.69) JAK1JAK2JAK3TYK2
SCHEMBL4716352 0.70 HPGD (0.41) CKS1BSKP1SKP2JAK1JAK2
SCHEMBL4716347 0.70 HPGD (0.41) CKS1BSKP1SKP2JAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-01-29 — — 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 (1 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-20150031674-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, RB1 PDE4B 2838/4885CKS1B 33/4885SKP1 238/4885

“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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