SCHEMBL22496763

SCHEMBL22496763

CC(C)(C)C1C(Nc2nc(Cl)nc3[nH]cc(C#N)c23)CCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHUK O15111 7/20 0.41
JAK3 P52333 9/20 0.40
BTK Q06187 6/20 0.40
IKBKB O14920 1/20 0.39
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 3/20 0.36
CDC42BPB Q9Y5S2 3/20 0.36
TTK P33981 1/20 0.36
CDC42BPA Q5VT25 2/20 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
SCHEMBL22496751 0.88 JAK3 (0.42) JAK3BTK
SCHEMBL22496736 0.87 JAK3 (0.38) JAK3BTK
SCHEMBL22496978 0.79 JAK3 (0.32) JAK3BTK
SCHEMBL22496852 0.79 JAK3 (0.31) JAK3BTK
SCHEMBL22496836 0.79 JAK3 (0.44) JAK3BTK
SCHEMBL28597542 0.77 JAK3 (0.58) CHUKJAK3BTKTTK
SCHEMBL28597543 0.77 JAK3 (0.58) CHUKJAK3BTKTTK
SCHEMBL22496896 0.77 BTK (0.41) JAK3BTK
SCHEMBL22497010 0.76 JAK3 (0.42) JAK3BTK
SCHEMBL22496761 0.74 JAK3 (0.53) CHUKJAK3BTKTTK

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-10961247-B2 Pyrazolopyrimidine derivatives as kinase inhibitor DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-03-30 US disclosed
US-20200317673-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2020-10-08 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-20200317673-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS KINASE INHIBITOR MAP3K5, MAP3K2, MAPKAPK5 CHUK 55/4885JAK3 135/4885BTK 280/4885
US-10961247-B2 Pyrazolopyrimidine derivatives as kinase inhibitor MAP3K5, MAP3K2, MAPKAPK5 CHUK 55/4885JAK3 135/4885BTK 280/4885

“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.