SCHEMBL7089565

SCHEMBL7089565

NCCCCc1nc2cnc3cccnc3c2n1CCCCN

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.47
TLR8 Q9NR97 6/20 0.47
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
HRH1 P35367 3/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
Hydrochloric Acid SCHEMBL1233387 0.85 TDP1 (0.40) TLR7TLR8MAPTMEN1KMT2A
SCHEMBL7252628 0.84 EPHX2 (0.43) MAPTMEN1KMT2A
SCHEMBL12888448 0.83 HPGD (0.42) TLR7TLR8MAPTHSP90AB1PDE10A
SCHEMBL27666505 0.82 TLR7 (0.44) TLR7TLR8
SCHEMBL6929530 0.82 STING1 (0.43) TLR7TLR8MEN1KMT2A
SCHEMBL4312799 0.81 SMN1; SMN2 (0.40) TLR7TLR8MAPTPDE10A
SCHEMBL4316388 0.80 TLR7 (0.40) TLR7TLR8MAPTPDE10A
SCHEMBL4151944 0.80 GAA (0.37) TLR7TLR8MEN1KMT2APDE10A
SCHEMBL6927938 0.79 HDAC3 (0.34) MAPTMEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL3176214 0.79 TLR7 (0.49) TLR7MAPTMEN1KMT2APDE10A

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-20030212093-A1 Viricides, antitumor agents 3M INNOVATIVE PROPERTIES COMPANY 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-20030212093-A1 Viricides, antitumor agents IFNG, IFNAR1, MAVS TLR7 116/4885TLR8 292/4885MAPT 4481/4885

“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.