SCHEMBL16486606

SCHEMBL16486606

Nc1c(Cc2ccccc2)cnc(Cl)c1N

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL28239209 0.83 AOC3 (0.46) AOC3HTR2A
SCHEMBL9044787 0.79 AOC3 (0.42) AOC3
SCHEMBL6415423 0.77 DHFR (0.49)
SCHEMBL7128318 0.76 MET (0.42) HPGDMEN1CYP3A4ALOX15KMT2A
SCHEMBL31662914 0.74 DHFR (0.49)
SCHEMBL22587748 0.74 ADCY10 (0.42) AOC3HPGDMEN1CYP3A4ALOX15
SCHEMBL27961294 0.74 CYP3A4 (0.49) AOC3HPGDMEN1CYP3A4ALOX15
SCHEMBL5598227 0.73 PIN1 (0.40) HPGDMEN1CYP3A4ALOX15KMT2A
SCHEMBL28220987 0.71 ALDH1A1 (0.44) AOC3
SCHEMBL9042020 0.71 ROCK1 (0.42) AOC3MEN1KMT2AHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO 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 (2 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 AOC3 3580/4885HPGD 2868/4885SMN1; SMN2 1015/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 AOC3 3580/4885HPGD 2868/4885SMN1; SMN2 1015/4885

“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.