SCHEMBL25973458

SCHEMBL25973458

Cn1c(=O)[nH]c2cccc(C3CN([C@H]4CCN(C(=O)OC(C)(C)C)C[C@@H]4F)C3)c21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.38
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
SPR P35270 1/20 0.38
KDM4E B2RXH2 2/20 0.37
USP30 Q70CQ3 2/20 0.37
PDE10A Q9Y233 1/20 0.36
HPGDS O60760 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
PIK3CD O00329 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
CCR5 P51681 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
SCHEMBL30543650 1.00 PARP1 (0.38) PARP1JAK2JAK1TYK2JAK3
SCHEMBL25973486 1.00 PARP1 (0.38) PARP1JAK2JAK1TYK2JAK3
SCHEMBL30543657 1.00 PARP1 (0.38) PARP1JAK2JAK1TYK2JAK3
SCHEMBL25973456 1.00 PARP1 (0.38) PARP1JAK2JAK1TYK2JAK3
SCHEMBL25340065 0.87 ADRB2 (0.36)
SCHEMBL25339166 0.87 ADRB2 (0.36)
SCHEMBL30543718 0.86 PARP1 (0.40) PARP1JAK2JAK1TYK2JAK3
SCHEMBL25339303 0.86 PARP1 (0.40) PARP1JAK2JAK1TYK2JAK3
SCHEMBL31314088 0.86 PARP1 (0.40) PARP1JAK2JAK1TYK2JAK3
SCHEMBL25970683 0.86 PARP1 (0.40) PARP1JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-11-16 US disclosed
US-20230365562-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-11-16 US disclosed
WO-2023147594-A2 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-08-03 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 (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-20230365562-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PARP1 85/4885JAK2 184/4885JAK1 165/4885

“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.