SCHEMBL5003397

SCHEMBL5003397

CC(=O)c1cccc(-c2cncc(N3CCN(c4ccccc4F)CC3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 4/20 0.53
PIM2 Q9P1W9 9/20 0.49
NPSR1 Q6W5P4 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PIM1 P11309 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
USP2 O75604 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL4997581 0.90 PIM2 (0.48) SMN1; SMN2ALDH1A1PIM2KMT2APIM1
SCHEMBL5003048 0.89 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1PIM2NPSR1MAPK1
SCHEMBL5003384 0.85 LMNA (0.51) SMN1; SMN2ALDH1A1PIM2MEN1KMT2A
SCHEMBL4995128 0.84 PIM2 (0.55) SMN1; SMN2PIM2MAPK1HSD17B10PIM1
SCHEMBL4994571 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1PIM2NPSR1MAPK1
SCHEMBL4994141 0.83 POLB (0.55) SMN1; SMN2ALDH1A1PIM2MAPK1MEN1
SCHEMBL4997488 0.82 LMNA (0.50) SMN1; SMN2ALDH1A1PIM2NPSR1MAPK1
SCHEMBL4997769 0.81 PIM2 (0.52) SMN1; SMN2PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL4996178 0.81 PIM2 (0.52) PIM2PIM1CSNK2A2CSNK2A1
SCHEMBL3364833 0.81 PIM2 (0.68) PIM2PIM1CSNK2A2CSNK2A1NPC1

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 SMN1; SMN2 896/4885ALDH1A1 1034/4885PIM2 1679/4885

“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.