SCHEMBL4997412

SCHEMBL4997412

Clc1cccc(-c2cncc(N3CCN(c4ccccn4)CC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 5/20 0.51
TP53 P04637 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
CNR2 P34972 1/20 0.45
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
PIM2 Q9P1W9 2/20 0.44

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
SCHEMBL4997684 0.86 BCHE (0.54) KMT2AALDH1A1TP53LMNAMAPT
SCHEMBL5003444 0.85 DRD4 (0.49) KMT2AALDH1A1TP53LMNAMAPT
SCHEMBL5003434 0.85 ACHE (0.57) KMT2AALDH1A1TP53LMNAMAPT
SCHEMBL4987364 0.84 HRH2 (0.48) ALDH1A1TP53LMNAMAPTHTT
SCHEMBL4992059 0.82 POLB (0.51) KMT2AALDH1A1TP53LMNAMAPT
SCHEMBL5000827 0.82 ALDH1A1 (0.51) KMT2AALDH1A1TP53LMNAMAPT
SCHEMBL4994141 0.81 POLB (0.55) KMT2AALDH1A1TP53LMNAMAPT
SCHEMBL4997810 0.81 MAPT (0.49) ALDH1A1TP53LMNAMAPTHTT
SCHEMBL5000893 0.80 ABCG2 (0.52) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL5003471 0.79 MAPT (0.54) KMT2AALDH1A1TP53LMNAMAPT

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 KMT2A 4601/4885ALDH1A1 1034/4885TP53 551/4885

“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.