SCHEMBL5000887

SCHEMBL5000887

CC(=O)c1ccc(N2CCN(c3cncc(-c4ccc(F)c(Cl)c4)n3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
RXFP1 Q9HBX9 3/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MGLL Q99685 1/20 0.42
ABL1 P00519 1/20 0.42
PIM2 Q9P1W9 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4994249 0.85 CHEK1 (0.56) CHEK1SMN1; SMN2MAPTRXFP1LMNA
SCHEMBL5000881 0.84 MAPT (0.47) CHEK1SMN1; SMN2MAPTHPGDHTT
SCHEMBL4992156 0.84 CYP11B1 (0.49) CYP11B1CYP11B2PIM2
SCHEMBL4997496 0.83 MAPT (0.51) CHEK1SMN1; SMN2MAPTHPGDHTT
SCHEMBL5000689 0.82 MAPT (0.53) CHEK1SMN1; SMN2MAPTHPGDHTT
SCHEMBL4997662 0.82 CYP11B1 (0.46) CHEK1MAPTCYP11B1CYP11B2LMNA
SCHEMBL5000719 0.82 CYP11B1 (0.47) SMN1; SMN2MAPTCYP11B1CYP11B2LMNA
SCHEMBL4993330 0.82 CHEK1 (0.57) CHEK1SMN1; SMN2MAPTHTTRXFP1
SCHEMBL5003418 0.80 CHEK1 (0.55) CHEK1SMN1; SMN2MAPTRXFP1LMNA
SCHEMBL5003195 0.80 PIM2 (0.50) CHEK1SMN1; SMN2MAPTLMNAPIM2

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 CHEK1 1668/4885SMN1; SMN2 896/4885MAPT 5/4885

“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.