SCHEMBL5000888

SCHEMBL5000888

c1ccc(N2CCN(c3cncc(-c4cccs4)n3)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 7/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CASP1 P29466 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.43
MAPK10 P53779 1/20 0.43
CASP7 P55210 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL4997431 0.80 MAPT (0.50) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL5003471 0.75 MAPT (0.54) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL4997684 0.75 BCHE (0.54) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL5000896 0.75 DRD2 (0.58) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL4992059 0.74 POLB (0.51) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL4994751 0.74 KDM4E (0.55) MAPTRAB9AKDM4EALDH1A1HPGD
SCHEMBL4996771 0.73 ALDH1A1 (0.46) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL5000610 0.72 SORD (0.51) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL5000602 0.72 MEN1 (0.47) MAPTLMNANPC1RAB9AMAPK1
SCHEMBL5003434 0.72 ACHE (0.57) MAPTLMNANPC1RAB9AMAPK1

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 5/4885LMNA 2743/4885NPC1 2008/4885

“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.