SCHEMBL1601710

SCHEMBL1601710

CN1CCN(CCS(=O)(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.53
CA2 P00918 11/20 0.53
CA9 Q16790 11/20 0.53
CA12 O43570 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
PARP1 P09874 2/20 0.43
MAP4K4 O95819 1/20 0.38
KDM1A O60341 1/20 0.36
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
SRC P12931 1/20 0.35
CNR1 P21554 1/20 0.34

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
SCHEMBL488897 0.92 CA1 (0.54) CA1CA2CA9CA12CA3
SCHEMBL488908 0.91 CA1 (0.53) CA1CA2CA9CA12CA3
SCHEMBL488839 0.89 CA1 (0.52) CA1CA2CA9CA12CA3
SCHEMBL488793 0.88 CA1 (0.48) CA1CA2CA9CA12CA3
SCHEMBL488876 0.86 CA1 (0.49) CA1CA2CA9CA12CA3
SCHEMBL488906 0.86 CA1 (0.46) CA1CA2CA9CA12CA3
SCHEMBL488842 0.82 CA1 (0.47) CA1CA2CA9CA12CA3
SCHEMBL12707453 0.79 CA1 (0.64) CA1CA2CA9CA12CA3
SCHEMBL488274 0.78 SRC (0.44) CA1CA2CA9CA12CA3
SCHEMBL16131174 0.78 PARP1 (0.47) CA1CA2CA9CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2011-06-30 US disclosed
US-7919502-B2 Pyridopyrazines and derivatives thereof as ALK and c-MET inhibitors CEPHALON, INC. (US) 2011-04-05 US disclosed
US-7601716-B2 Pyridopyrazines and derivatives thereof as ALK and c-Met inhibitors CEPHALON, INC. (US) 2009-10-13 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-20110160204-A1 PYRIDOPYRAZINES AND DERIVATIVES THEREOF AS ALK AND c-MET INHIBITORS ALK, MET, RET CA1 4022/4885CA2 990/4885CA9 2915/4885

“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.