SCHEMBL6730778

SCHEMBL6730778

[CH2]CCCn1c(C)nc2cnc3ccccc3c21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
TLR7 Q9NYK1 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
AGER Q15109 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL6730776 0.92 MEN1 (0.42) TSHRLMNATP53HTTTLR7
SCHEMBL5358003 0.88 TSHR (0.46) TSHRLMNATP53HTTTLR7
SCHEMBL6106195 0.86 TSHR (0.61) TSHRLMNATP53HTTTLR7
SCHEMBL5353182 0.86 TSHR (0.45) TSHRLMNATP53HTTTLR7
SCHEMBL6107590 0.85 TSHR (0.56) TSHRLMNATP53HTTTLR7
SCHEMBL10587326 0.85 TLR7 (0.48) TSHRLMNATP53HTTTLR7
SCHEMBL5360897 0.85 TSHR (0.44) TSHRLMNATP53HTTTLR7
SCHEMBL27725059 0.84 TLR7 (0.42) TSHRLMNATP53TLR7MEN1
SCHEMBL6105184 0.83 TSHR (0.50) TSHRLMNATP53HTTTLR7
SCHEMBL5358429 0.83 TSHR (0.42) TSHRLMNATP53HTTTLR7

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-6677348-B2 INDUCE CYTOKINE BIOSYNTHESIS; ANTICARCINOGENIC AGENTS, VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 US disclosed
US-20030212092-A1 Aryl ether substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. 2003-11-13 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-20030212092-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 TSHR 2190/4885LMNA 3956/4885TP53 416/4885

“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.