SCHEMBL4997414

SCHEMBL4997414

c1ccc(C2CCN(c3cncc(-c4ccc5ccccc5c4)n3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
DYRK1A Q13627 1/20 0.45
MAPT P10636 3/20 0.45
PIM2 Q9P1W9 5/20 0.43
DKK1 O94907 2/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
DHFR P00374 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4994408 0.83 POLB (0.50) CLK2CLK3DYRK1AMAPTNPC1
SCHEMBL4993263 0.82 MAPT (0.47) MAPTPIM2CYP11B1CYP11B2NPC1
SCHEMBL3649334 0.82 DKK1 (0.61) CLK2CLK3DYRK1APIM2DKK1
SCHEMBL4997176 0.81 MAPT (0.46) CLK2CLK3DYRK1AMAPTPIM2
SCHEMBL4995465 0.81 MAPT (0.46) CLK2CLK3DYRK1AMAPTPIM2
SCHEMBL4991897 0.81 NEK2 (0.43) CLK2CLK3DYRK1AMAPTPIM2
SCHEMBL4997566 0.80 MAPT (0.46) CLK2CLK3DYRK1AMAPTPIM2
SCHEMBL4997068 0.80 DHFR (0.40) CLK2CLK3DYRK1AMAPTPIM2
SCHEMBL5131729 0.79 SMN1; SMN2 (0.44) CLK2CLK3DYRK1AMAPTPIM2
SCHEMBL4993557 0.78 CCNT1 (0.41) MAPTPIM2NPC1RAB9ASMN1; SMN2

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed
EP-1694670-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC Biotech AG (DE) 2006-08-30 EP claimed
WO-2005058876-A1 PYRAZINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES GPC BIOTECH AG (DE) 2005-06-30 WO claimed

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C CLK2 1374/4885CLK3 1561/4885DYRK1A 3727/4885

“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.