SCHEMBL17199548

SCHEMBL17199548

CC(C)(C)OC(=O)NC1CCC(c2cc(Nc3ccc(N4CCOCC4)cn3)c3ncnn3c2)C1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.60
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
KCNH2 Q12809 1/20 0.39
SYK P43405 1/20 0.38
LRRK2 Q5S007 2/20 0.37
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
JAK3 P52333 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
SCHEMBL18761801 0.89 BTK (0.65) BTKJAK2JAK1TYK2KCNH2
SCHEMBL17199622 0.86 BTK (0.70) BTKJAK2JAK1JAK3
SCHEMBL18781581 0.86 BTK (0.70) BTKJAK2JAK1JAK3
SCHEMBL17199623 0.86 BTK (0.70) BTKJAK2JAK1JAK3
SCHEMBL17187749 0.86 BTK (0.70) BTKJAK2JAK1JAK3
SCHEMBL17199551 0.83 BTK (0.51) BTKTLR9TLR8TLR7JAK2
SCHEMBL17199546 0.81 BTK (0.64) BTKJAK2JAK1TYK2SYK
SCHEMBL20990507 0.80 BTK (0.66) BTKJAK2JAK1TYK2KCNH2
Hydrochloric Acid SCHEMBL18761864 0.80 BTK (0.63) BTKJAK2JAK1TYK2SYK
SCHEMBL20957612 0.76 BTK (0.69) BTKSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC (US) 2019-05-09 US disclosed
US-10280184-B2 Heterocyclic kinase inhibitors ABBVIE INC. (US) 2019-05-07 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. 2017-04-27 US disclosed
WO-2015158283-A1 HETEROCYCLIC KINASE INHIBITORS ABBVIE INC. (US) 2015-10-22 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 (3 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-10280184-B2 Heterocyclic kinase inhibitors MAP3K1, MAP3K20, MAP3K19 BTK 78/4885TLR9 3033/4885TLR8 2938/4885
US-20170114077-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 BTK 78/4885TLR9 3033/4885TLR8 2938/4885
US-20190135836-A1 HETEROCYCLIC KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K19 BTK 81/4885TLR9 3395/4885TLR8 3064/4885

“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.