SCHEMBL21998567

SCHEMBL21998567

CCCCC(CC)c1cnc2c(N)ncnn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.35
ADORA2A P29274 3/20 0.33
ADA P00813 5/20 0.32
PDE2A O00408 3/20 0.32
CYP3A4 P08684 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
ADORA2B P29275 2/20 0.32

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
SCHEMBL21078631 0.95 ADA (0.38) TLR7ADAPDE2ACYP3A4PDE4A
SCHEMBL22349649 0.92 TLR7 (0.32) TLR7ADORA2AADORA2BADORA1
SCHEMBL24235860 0.89 ADA (0.39) TLR7ADAPDE2ACYP3A4PDE4A
SCHEMBL22107444 0.89 ADORA2A (0.35) TLR7ADORA2AADORA2BADORA1
SCHEMBL24117695 0.88 TLR7 (0.36) TLR7ADAPDE2ACYP3A4PDE4A
SCHEMBL24633433 0.86 TLR7 (0.33) TLR7ADORA2AADORA2BADORA1
SCHEMBL25810040 0.85 ADORA2A (0.33) ADORA2AADORA2BADORA1
SCHEMBL15340435 0.75 ACVRL1 (0.39) TLR7ADORA2AKDM4EALDH1A1CYP1A2
SCHEMBL21758936 0.73 PI4KB (0.35) TLR7ADORA2AKDM4EALDH1A1CYP1A2
SCHEMBL19352649 0.73 TLR7 (0.51) TLR7ADORA2AADAPDE2ACYP3A4

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-11078204-B2 Heterocyclic derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2021-08-03 US disclosed
US-20200148689-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2020-05-14 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 (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-11078204-B2 Heterocyclic derivatives as PI3K inhibitors PIK3CD, PIK3R5, PIK3CA TLR7 3018/4885ADORA2A 3858/4885ADA 3474/4885
US-20200148689-A1 HETEROCYCLIC DERIVATIVES AS PI3K INHIBITORS PIK3CD, PIK3R5, PIK3CA TLR7 3018/4885ADORA2A 3858/4885ADA 3474/4885

“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.