SCHEMBL6420487

SCHEMBL6420487

CC(C)(O)Cn1c(N)nc2cc(N)ccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
RAD52 P43351 1/20 0.50
HTT P42858 3/20 0.49
TLR8 Q9NR97 3/20 0.43
BACE1 P56817 2/20 0.43
NUDT1 P36639 1/20 0.43
CNR2 P34972 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
ACSS2 Q9NR19 1/20 0.39
F2R P25116 1/20 0.38
CXCR4 P61073 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6271298 0.87 RPS6KA5 (0.45) KDM4ERAD52HTTTLR8BACE1
SCHEMBL21310819 0.87 TLR8 (0.58) KDM4ERAD52HTTTLR8BACE1
SCHEMBL21311070 0.85 TLR8 (0.41) KDM4ERAD52HTTTLR8BACE1
SCHEMBL21310822 0.85 BACE1 (0.41) HTTTLR8BACE1NUDT1CNR2
SCHEMBL21310816 0.85 BACE1 (0.60) HTTTLR8BACE1NUDT1ALDH1A1
SCHEMBL21310933 0.85 RPS6KA5 (0.44) HTTTLR8BACE1NUDT1CYP1A2
SCHEMBL21310846 0.84 RPS6KA5 (0.47) KDM4EHTTTLR8BACE1NUDT1
SCHEMBL21310820 0.84 TLR8 (0.43) KDM4ERAD52HTTTLR8BACE1
SCHEMBL21310890 0.83 BACE1 (0.39) KDM4ERAD52HTTTLR8BACE1
SCHEMBL21310821 0.83 JAK2 (0.41) KDM4ERAD52HTTTLR8BACE1

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-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK KDM4E 2880/4885RAD52 2712/4885HTT 3298/4885

“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.