SCHEMBL22496977

SCHEMBL22496977

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc(Cl)nc3[nH]nc(Cl)c23)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.43
JAK3 P52333 11/20 0.43
PARP1 P09874 1/20 0.41
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
USP30 Q70CQ3 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL29448469 1.00 BTK (0.43) BTKJAK3PARP1PIM1PIM2
SCHEMBL29448493 0.91 PIM1 (0.44) BTKJAK3PARP1PIM1PIM2
SCHEMBL22496848 0.91 PIM1 (0.44) BTKJAK3PARP1PIM1PIM2
SCHEMBL22497111 0.89 BTK (0.54) BTKJAK3PARP1PIM1PIM2
SCHEMBL22497009 0.89 BTK (0.54) BTKJAK3PARP1PIM1PIM2
SCHEMBL28606309 0.85 BTK (0.43) BTKJAK3
SCHEMBL28606310 0.85 BTK (0.43) BTKJAK3
SCHEMBL22497106 0.84 BTK (0.54) BTKJAK3
SCHEMBL22496749 0.84 BTK (0.54) BTKJAK3
SCHEMBL29448477 0.84 BTK (0.54) BTKJAK3

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 135/4885PARP1 1177/4885
US-10961247-B2 Pyrazolopyrimidine derivatives as kinase inhibitor MAP3K5, MAP3K2, MAPKAPK5 BTK 280/4885JAK3 135/4885PARP1 1177/4885

“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.