SCHEMBL6129185

SCHEMBL6129185

CCCCc1nc(-c2cccc(C(F)(F)F)c2)c[nH]1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.51
CTSK P43235 7/20 0.50
CTSS P25774 5/20 0.50
IDO1 P14902 1/20 0.45
KCNH2 Q12809 5/20 0.43
XDH P47989 1/20 0.43
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
LMNA P02545 1/20 0.41
KDM1A O60341 1/20 0.41
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 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
SCHEMBL6129194 0.84 TLR8 (0.45) TLR8CTSKCTSS
SCHEMBL6618330 0.80 GSK3B (0.44) TLR8
Ammonia Solution, Strong SCHEMBL27564785 0.79 GSK3B (0.43) TLR8
SCHEMBL7156561 0.76 IDO1 (0.53) CTSKCTSSIDO1XDHLMNA
Benzylamine SCHEMBL27571278 0.75 TLR8 (0.39) TLR8
SCHEMBL13277717 0.75 GSK3B (0.43) TLR8
SCHEMBL11297462 0.75 GPR84 (0.44) TLR8KCNH2
SCHEMBL2946753 0.75 GPR84 (0.44) TLR8KCNH2
SCHEMBL4814536 0.72 GPR84 (0.42) TLR8KCNH2
SCHEMBL17626094 0.72 GSK3B (0.41) LMNAHRH1

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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-02-17 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-20050038087-A1 Derivatives of heterocycles with 5 members, their preparation and their use as medicaments OXER1, OPRL1, OPRK1 TLR8 1420/4885CTSK 3778/4885CTSS 4183/4885

“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.