SCHEMBL3815741

SCHEMBL3815741

Nc1ncc(Br)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.46
PLAU P00749 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
KIF11 P52732 2/20 0.44
DPP4 P27487 1/20 0.43
MAP4K4 O95819 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MYC P01106 1/20 0.40
WDR5 P61964 1/20 0.40
CLK1 P49759 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
DHFR P00374 1/20 0.38

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
SCHEMBL29892848 1.00 KCNH2 (0.46) KCNH2PLAUMKNK1MKNK2KIF11
SCHEMBL2703201 0.81 ADORA1 (0.45) DPP4MAP4K4MYCWDR5
SCHEMBL12488659 0.80 ALDH1A1 (0.41)
SCHEMBL2701909 0.80 SCN10A (0.42) KCNH2
SCHEMBL32688631 0.79 ADORA2A (0.44)
SCHEMBL22820591 0.79 ADORA2A (0.44)
SCHEMBL16739695 0.78 PLAU (0.60) KCNH2PLAUMKNK1MKNK2KIF11
SCHEMBL20371190 0.77 ABL1 (0.46) DPP4MAP4K4CDK5
SCHEMBL2702913 0.77 RAB9A (0.49) KCNH2DPP4MAP4K4
SCHEMBL2935581 0.77 USP7 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629346-B2 Pyrazinecarboxamide derivatives as CB1 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-12-08 US disclosed
EP-2035394-B1 2-PYRAZINECARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
EP-2035394-A1 2-PYRAZINECARBOXAMIDE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-18 EP disclosed
WO-2007147746-A1 2-PYRAZINECARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
US-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-12-20 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-20070293509-A1 Pyrazinecarboxamide derivatives as CB1 antagonists CNR1, CNR2, GPR119 KCNH2 761/4885PLAU 4143/4885MKNK1 3324/4885

“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.