SCHEMBL4991897

SCHEMBL4991897

c1ccc(C2CCN(c3cncc(-c4ccsc4)n3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
DHFR P00374 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR6 P50406 1/20 0.41
PIM2 Q9P1W9 2/20 0.39
CCR5 P51681 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CLK2 P49760 1/20 0.38
CLK3 P49761 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
SCHEMBL4997414 0.81 CLK2 (0.45) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL4997068 0.80 DHFR (0.40) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL4997176 0.79 MAPT (0.46) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL4995465 0.79 MAPT (0.46) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL4997431 0.78 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5131729 0.77 SMN1; SMN2 (0.44) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL3267030 0.77 ROCK2 (0.52) CYP1A2CYP2C9CYP2C19MEN1HPGD
SCHEMBL4994408 0.76 POLB (0.50) NEK2MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4993557 0.76 CCNT1 (0.41) MAPTNPC1RAB9ACYP1A2CYP2C9
SCHEMBL4992439 0.76 SMN1; SMN2 (0.51) MAPTNPC1RAB9ASMN1; SMN2MEN1

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 NEK2 1418/4885MAPT 5/4885NPC1 2008/4885

“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.