SCHEMBL4996259

SCHEMBL4996259

COc1ccc(N2CCN(c3cncc(-c4cccc5ccccc45)n3)CC2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.44
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
FLT3 P36888 1/20 0.40
BMX P51813 1/20 0.40
THRB P10828 1/20 0.39
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TTK P33981 2/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
PTPN11 Q06124 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL4997044 0.87 HTR7 (0.46) HTR7MAPTALDH1A1NPC1RAB9A
SCHEMBL5003388 0.86 HTR7 (0.43) HTR7MAPTALDH1A1NPC1RAB9A
SCHEMBL4992244 0.85 HTR7 (0.53) HTR7MAPTALDH1A1NPC1RAB9A
SCHEMBL4995538 0.85 HTR7 (0.42) HTR7MAPTALDH1A1NPC1RAB9A
SCHEMBL5000770 0.85 SSTR5 (0.41) HTR7MAPTALDH1A1NPC1RAB9A
SCHEMBL4994150 0.83 HTR7 (0.45) HTR7MAPTALDH1A1NPC1RAB9A
SCHEMBL4997507 0.82 MAPK1 (0.42) HTR7MAPTALDH1A1NPC1RAB9A
SCHEMBL5000876 0.82 ALDH1A1 (0.43) HTR7MAPTALDH1A1NPC1RAB9A
SCHEMBL5003446 0.81 MAPT (0.47) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL5003014 0.81 MAPT (0.51) HTR7MAPTALDH1A1NPC1RAB9A

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 HTR7 1289/4885MAPT 5/4885ALDH1A1 1034/4885

“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.