SCHEMBL3256222

SCHEMBL3256222

Nc1ncc(Br)nc1OCC1CCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.44
CCNA2 P20248 12/20 0.44
CCNA1 P78396 9/20 0.44
CDK1 P06493 5/20 0.43
CCNB1 P14635 4/20 0.43
CCNB2 O95067 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
MEN1 O00255 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
ATR Q13535 1/20 0.43
MAPK3 P27361 1/20 0.42
CLK1 P49759 1/20 0.42
CDK5 Q00535 1/20 0.42
PIN1 Q13526 1/20 0.42
MAP3K5 Q99683 1/20 0.42
MCHR1 Q99705 3/20 0.40
MAP4K4 O95819 1/20 0.40

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
SCHEMBL3248788 0.97 CDK2 (0.48) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL14889685 0.93 CDK2 (0.40) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL23021957 0.84 HRH3 (0.45)
SCHEMBL3136710 0.82 HTR2B (0.43)
SCHEMBL3250575 0.78 CNR2 (0.40)
SCHEMBL3141781 0.77 JAK3 (0.35) MCHR1
SCHEMBL16446538 0.76 CDK2 (0.45) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL28163722 0.75 CDK2 (0.39) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL3252255 0.75 CNR2 (0.42) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL29597929 0.72 CCR4 (0.42) MEN1KMT2A

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
EP-2076499-B1 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-12 EP disclosed
US-7691863-B2 Pyrazine-2-carboxamide derivatives as CB2 receptor modulators HOFFMAN-LA ROCHE INC. (US) 2010-04-06 US disclosed
EP-2076499-A2 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
US-20080085905-A1 Pyrazine-2-carboxamide derivatives F. HOFFMAN-LA ROCHE AG (CH) 2008-04-10 US disclosed
WO-2008040649-A2 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 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 (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-20080085905-A1 Pyrazine-2-carboxamide derivatives CNR2, CNR1, P2RY2 CDK2 431/4885CCNA2 910/4885CCNA1 1495/4885

“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.