SCHEMBL22496732

SCHEMBL22496732

CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](Nc2nc(Cl)nc3[nH]nc(Cl)c23)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.40
JAK3 P52333 12/20 0.40
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NSD2 O96028 1/20 0.35

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
SCHEMBL29448465 1.00 BTK (0.40) BTKJAK3CNR1ALDH1A1NPC1
SCHEMBL22496745 0.85 JAK3 (0.42) BTKJAK3
SCHEMBL29692419 0.84 BTK (0.51) BTKJAK3
SCHEMBL22496977 0.83 BTK (0.43) BTKJAK3CNR1
SCHEMBL29448469 0.83 BTK (0.43) BTKJAK3CNR1
SCHEMBL22496848 0.75 PIM1 (0.44) BTKJAK3CNR1
SCHEMBL29448493 0.75 PIM1 (0.44) BTKJAK3CNR1
SCHEMBL22497009 0.75 BTK (0.54) BTKJAK3CNR1
SCHEMBL22497111 0.75 BTK (0.54) BTKJAK3CNR1
SCHEMBL16764904 0.74 JAK3 (0.50) BTKJAK3CNR1

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 BTK 280/4885JAK3 135/4885CNR1 4371/4885
US-10961247-B2 Pyrazolopyrimidine derivatives as kinase inhibitor MAP3K5, MAP3K2, MAPKAPK5 BTK 280/4885JAK3 135/4885CNR1 4371/4885

“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.