SCHEMBL6730776

SCHEMBL6730776

[CH2]CCn1c(C)nc2cnc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
TLR7 Q9NYK1 3/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
AGER Q15109 1/20 0.38
GAA P10253 2/20 0.38
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GPR3 P46089 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL6730778 0.92 TSHR (0.45) MEN1KMT2ATSHRPIK3CDPIK3CA
SCHEMBL6105184 0.86 TSHR (0.50) MEN1KMT2ATSHRPIK3CDPIK3CA
SCHEMBL5358003 0.84 TSHR (0.46) MEN1KMT2ATSHRPIK3CDPIK3CA
SCHEMBL9602377 0.84 HPGD (0.45) MEN1KMT2ATSHRPIK3CDPIK3CA
SCHEMBL5353182 0.83 TSHR (0.45) MEN1KMT2ATSHRPIK3CDPIK3CA
SCHEMBL6106195 0.83 TSHR (0.61) MEN1KMT2ATSHRPIK3CDPIK3CA
SCHEMBL9602916 0.83 MEN1 (0.63) MEN1KMT2ATSHRPIK3CDPIK3CA
SCHEMBL8121895 0.83 HPGD (0.46) KMT2ATSHRCYP1A2LMNATP53
SCHEMBL6107590 0.82 TSHR (0.56) MEN1KMT2ATSHRPIK3CDPIK3CA
SCHEMBL10587326 0.82 TLR7 (0.48) TSHRTLR7MAPTLMNATP53

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 MEN1 3931/4885KMT2A 663/4885TSHR 2190/4885

“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.