SCHEMBL4996338

SCHEMBL4996338

CN(C)c1ccc(-c2cncc(N3CCN(c4ccccc4F)CC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
GFER P55789 1/20 0.45
HSD17B10 Q99714 3/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 6/20 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
SCHEMBL4992184 0.87 MAPT (0.52) MAPTSMN1; SMN2LMNANFKB1NFKB2
SCHEMBL4992191 0.87 MAPT (0.54) MAPTSMN1; SMN2LMNANFKB1NFKB2
SCHEMBL4995356 0.86 CYP11B1 (0.44) MAPTSMN1; SMN2LMNANFKB1NFKB2
SCHEMBL5003443 0.84 L3MBTL1 (0.54) MAPTSMN1; SMN2LMNANFKB1NFKB2
SCHEMBL5000656 0.84 MAPT (0.49) MAPTSMN1; SMN2LMNANFKB1NFKB2
SCHEMBL4994841 0.83 AURKA (0.47) MAPTSMN1; SMN2LMNANFKB1NFKB2
SCHEMBL4996249 0.82 MAPT (0.50) MAPTSMN1; SMN2LMNANFKB1NFKB2
SCHEMBL5003046 0.82 DRD2 (0.52) MAPTSMN1; SMN2LMNANFKB1NFKB2
SCHEMBL5003048 0.82 ALDH1A1 (0.53) MAPTSMN1; SMN2LMNANFKB1NFKB2
SCHEMBL4996845 0.81 MAPT (0.49) MAPTSMN1; SMN2LMNANFKB1NFKB2

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 1 patent. 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

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 MAPT 5/4885SMN1; SMN2 896/4885LMNA 2743/4885

“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.