SCHEMBL5000602

SCHEMBL5000602

CSc1ccccc1-c1cncc(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 7/20 0.44
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
DHFR P00374 1/20 0.43
LMNA P02545 4/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 4/20 0.42
TSHR P16473 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTK2 Q05397 1/20 0.41
PLD1 Q13393 1/20 0.40
POLB P06746 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
SCHEMBL4997565 0.85 MAPT (0.42) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5003471 0.76 MAPT (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5003221 0.75 BCHE (0.57) MEN1KMT2AKDM4ELMNARAB9A
SCHEMBL5000896 0.73 DRD2 (0.58) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4997684 0.73 BCHE (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4997810 0.73 MAPT (0.49) MAPTKDM4EALDH1A1LMNARAB9A
SCHEMBL5003434 0.73 ACHE (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4992059 0.72 POLB (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5000888 0.72 MAPT (0.50) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4997431 0.72 MAPT (0.50) MAPTKDM4EALDH1A1LMNARAB9A

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 MEN1 1557/4885KMT2A 4601/4885MAPT 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.