SCHEMBL13037511

SCHEMBL13037511

Bc1ccccc1-c1cncc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.52
SKP1 P63208 1/20 0.52
SKP2 Q13309 1/20 0.52
SUV39H2 Q9H5I1 10/20 0.47
PDE10A Q9Y233 1/20 0.47
BTK Q06187 2/20 0.47
JAK3 P52333 1/20 0.47
SYK P43405 1/20 0.46
MAP4K4 O95819 2/20 0.44
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44

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
SCHEMBL12991335 0.91 CKS1B (0.54) CKS1BSKP1SKP2SUV39H2PDE10A
SCHEMBL12991199 0.89 CKS1B (0.52) CKS1BSKP1SKP2SUV39H2PDE10A
SCHEMBL12990834 0.86 CKS1B (0.50) CKS1BSKP1SKP2SUV39H2PDE10A
SCHEMBL3528679 0.85 CKS1B (0.61) CKS1BSKP1SKP2SUV39H2PDE10A
SCHEMBL12991183 0.83 CKS1B (0.59) CKS1BSKP1SKP2SUV39H2PDE10A
SCHEMBL3534646 0.81 CKS1B (0.56) CKS1BSKP1SKP2SUV39H2PDE10A
SCHEMBL7384523 0.80 JAK3 (0.59) CKS1BSKP1SKP2SUV39H2PDE10A
SCHEMBL38666481 0.80 JAK3 (0.59) CKS1BSKP1SKP2SUV39H2PDE10A
SCHEMBL38665065 0.80 JAK3 (0.59) CKS1BSKP1SKP2SUV39H2PDE10A
SCHEMBL38663924 0.80 JAK3 (0.59) CKS1BSKP1SKP2SUV39H2PDE10A

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-7858786-B2 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCOROPATED (US) 2010-12-28 US disclosed
US-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-04-26 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-20070093454-A1 Pyrimidines and pyrazines useful as modulators of ion channels KCNJ1, KCNJ2, KCNJ11 CKS1B 2173/4885SKP1 1399/4885SKP2 1603/4885

“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.