SCHEMBL5000709

SCHEMBL5000709

COc1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.48
HRH4 Q9H3N8 1/20 0.45
ABL1 P00519 4/20 0.45
NTRK1 P04629 4/20 0.45
YES1 P07947 4/20 0.45
KDR P35968 4/20 0.45
PIM1 P11309 3/20 0.45
MAPK1 P28482 3/20 0.45
HIPK1 Q86Z02 3/20 0.45
CHEK1 O14757 3/20 0.45
KMT2A Q03164 1/20 0.45
FYN P06241 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL4997671 0.88 KDM4E (0.45) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4997409 0.88 L3MBTL1 (0.52) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5000619 0.87 MAPT (0.60) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4997547 0.87 MAPT (0.48) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4996238 0.85 NPC1 (0.50) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL5000847 0.85 CHEK1 (0.46) NPC1MAPTRAB9ASMN1; SMN2CHEK1
SCHEMBL4997726 0.85 HRH1 (0.51) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4994760 0.84 CHEK1 (0.65) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4997110 0.84 MAP4K1 (0.48) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL4995533 0.83 NPC1 (0.47) ALDH1A1NPC1MAPTRAB9ASMN1; 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 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 ALDH1A1 1034/4885NPC1 2008/4885MAPT 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.