SCHEMBL6468487

SCHEMBL6468487

CCCCN(C)c1cncc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
AR P10275 1/20 0.37
LATS1 O95835 1/20 0.36
LATS2 Q9NRM7 1/20 0.36
PTPN11 Q06124 1/20 0.35
CDK2 P24941 1/20 0.34
POLB P06746 1/20 0.34
PIM2 Q9P1W9 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
AOC1 P19801 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR1 P21554 1/20 0.32
SLC6A2 P23975 1/20 0.32
MAPT P10636 2/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL3186724 0.95 HRH3 (0.36) HRH3KDM4EALDH1A1ARLATS1
SCHEMBL6470819 0.84 CDK2 (0.35) KDM4EALDH1A1CDK2MEN1KMT2A
SCHEMBL6468479 0.76 PIM2 (0.39) KDM4EARLATS1LATS2PTPN11
SCHEMBL5042475 0.74 AR (0.43) HRH3KDM4EALDH1A1ARLATS1
SCHEMBL16543303 0.71 NOS2 (0.40) HRH3KDM4EALDH1A1ARESR1
SCHEMBL5133010 0.70 HRH3 (0.38) HRH3KDM4EALDH1A1ARLATS1
SCHEMBL10490484 0.70 HRH3 (0.42) HRH3KDM4EALDH1A1CNR1
SCHEMBL16543301 0.69 NUDT1 (0.46) HRH3KDM4EALDH1A1ARESR1
SCHEMBL9696149 0.69 NOS1 (0.38) HRH3KDM4EALDH1A1ARPOLB
SCHEMBL21318032 0.69 AR (0.49) HRH3KDM4EALDH1A1ARLATS1

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA HRH3 296/4885KDM4E 3151/4885ALDH1A1 2820/4885

“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.