SCHEMBL6468988

SCHEMBL6468988

CCCCNCc1cnc(N)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.44
IL6 P05231 6/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH4 Q9H3N8 3/20 0.36
HRH3 Q9Y5N1 3/20 0.36
F2 P00734 1/20 0.35
TLR8 Q9NR97 2/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM2 P08172 1/20 0.34
FLT3 P36888 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
GAS6 Q14393 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6468982 0.78 SIRT6 (0.41) TLR7IL6MEN1KMT2ATSHR
SCHEMBL13447545 0.76 NOS2 (0.47) TLR7MEN1KMT2AHRH3SMN1; SMN2
SCHEMBL6468950 0.75 MEN1 (0.44) MEN1KMT2AHRH4HRH3F2
SCHEMBL25590589 0.75 HRH4 (0.42) TLR7IL6MEN1KMT2AHRH4
SCHEMBL6708077 0.74 KCNH2 (0.42) TLR7MEN1KMT2ATLR8SMN1; SMN2
SCHEMBL22027734 0.74 CHRM2 (0.42) TLR7IL6HRH4HRH3TSHR
SCHEMBL807843 0.74 MEN1 (0.49) TLR7IL6MEN1KMT2AF2
SCHEMBL16131130 0.72 CHRM2 (0.38) TLR7IL6MEN1KMT2AHRH4
SCHEMBL9593913 0.71 NOS2 (0.44) MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL21364287 0.71 SMN1; SMN2 (0.51) TLR7IL6MEN1KMT2AHRH4

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 2 patents. 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 claimed
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 TLR7 4213/4885IL6 1079/4885MEN1 978/4885

“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.