SCHEMBL21735575

SCHEMBL21735575

Nc1nc2cc(-c3cc[nH]n3)ccc2c2c1nc(CCNC(=O)c1ccccn1)n2C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.38
TLR7 Q9NYK1 11/20 0.35
TLR8 Q9NR97 5/20 0.34
CFTR P13569 2/20 0.34
JAK2 O60674 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL21735574 0.97 JAK1 (0.36) JAK1TLR7TLR8NPC1RAB9A
SCHEMBL21735567 0.90 JAK1 (0.39) JAK1TLR7TLR8JAK2
SCHEMBL21735570 0.88 JAK1 (0.40) JAK1TLR7TLR8CFTRJAK2
SCHEMBL21735572 0.87 JAK1 (0.38) JAK1TLR7TLR8JAK2
SCHEMBL23917089 0.85 TLR7 (0.37) TLR7TLR8CFTR
SCHEMBL23916891 0.85 TLR7 (0.38) JAK1TLR7TLR8CFTRJAK2
SCHEMBL23916900 0.84 TLR7 (0.39) TLR7TLR8
SCHEMBL23916902 0.83 JAK1 (0.40) JAK1TLR7TLR8JAK2
SCHEMBL21735565 0.81 TLR7 (0.35) JAK1TLR7TLR8JAK2
SCHEMBL21733010 0.81 JAK2 (0.42) JAK1TLR7TLR8JAK2

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-20210317118-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2021-10-14 US disclosed
WO-2020037092-A1 IMIDAZO[4,5-C]QUINOLINE DERIVED NLRP3-MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2020-02-20 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 (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-20210317118-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD JAK1 2951/4885TLR7 236/4885TLR8 210/4885

“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.