SCHEMBL2115250

SCHEMBL2115250

O=C(Nc1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.59
CNR2 P34972 2/20 0.58
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
EGFR P00533 1/20 0.50
NTRK1 P04629 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
AXL P30530 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
FRK P42685 1/20 0.50
CLK2 P49760 1/20 0.50
MAP4K2 Q12851 1/20 0.50
CAMK2B Q13554 1/20 0.50
CAMK2G Q13555 1/20 0.50
CAMK2D Q13557 1/20 0.50
PTK6 Q13882 1/20 0.50
NTRK3 Q16288 1/20 0.50

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
SCHEMBL2114891 0.91 CNR1 (0.56) CNR1CNR2
SCHEMBL2116354 0.91 CNR1 (0.58) CNR1CNR2MAPK14
SCHEMBL2113754 0.85 CNR1 (0.59) CNR1CNR2
SCHEMBL2114838 0.82 CNR1 (0.55) CNR1PRKD3MAP4K4EGFRNTRK1
SCHEMBL442354 0.80 CNR1 (0.67) CNR1CNR2
SCHEMBL9978027 0.77 CNR1 (0.67) CNR1CNR2
SCHEMBL2112990 0.75 CNR1 (0.56) CNR1
SCHEMBL2114487 0.74 KCNH2 (0.53) CNR1
SCHEMBL2113119 0.73 CNR1 (0.54) CNR1PRKD3MAP4K4EGFRNTRK1
SCHEMBL9931290 0.73 CNR1 (1.00) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP claimed
EP-2627637-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 EP claimed
WO-2012049190-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 WO claimed
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
EP-2627637-B1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
EP-2627637-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2013-08-21 EP disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-8410107-B2 N-pyridin-3-yl or N-pyrazin-2-yl carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-04-02 US disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US disclosed
US-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 US disclosed
WO-2012049190-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-04-19 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-20120094993-A1 N-PYRIDIN-3-YL OR N-PYRAZIN-2-YL CARBOXAMIDES APOB, CETP, NPC1L1 CNR1 68/4885CNR2 63/4885PRKD3 952/4885

“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.