SCHEMBL23432951

SCHEMBL23432951

CC(C)c1ccc(C(C)C)c(Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF4A3 P38919 2/20 0.36
▸ GABRA1 P14867 3/20 0.34
▸ GABRB1 P18505 2/20 0.34
▸ ANPEP P15144 1/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ LMNA P02545 5/20 0.32
▸ SLC6A2 P23975 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ GABRB2 P47870 2/20 0.32
▸ FAAH O00519 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GABRG2 P18507 1/20 0.32

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
SCHEMBL21567158 0.86 CYP3A4 (0.38) EIF4A3GABRA1GABRB1ANPEPDPP4
SCHEMBL21191253 0.86 GABRA1 (0.37) EIF4A3GABRA1GABRB1ANPEPDPP4
SCHEMBL12599943 0.86 GABRA1 (0.37) EIF4A3GABRA1GABRB1ANPEPDPP4
SCHEMBL12534165 0.86 LMNA (0.33) EIF4A3GABRA1GABRB1ANPEPDPP4
SCHEMBL17517184 0.84 LMNA (0.35) EIF4A3GABRA1GABRB1ANPEPDPP4
SCHEMBL12604300 0.84 LMNA (0.35) EIF4A3GABRA1GABRB1ANPEPDPP4
SCHEMBL22483860 0.82 EIF4A3 (0.33) EIF4A3GABRA1GABRB1P2RX7
SCHEMBL20711666 0.82 LMNA (0.41) EIF4A3GABRA1GABRB1LMNASLC6A2
SCHEMBL12533352 0.82 P2RX7 (0.31) GABRA1GABRB1P2RX7
SCHEMBL12533353 0.82 LMNA (0.31) GABRA1GABRB1LMNACYP1A2CYP3A4

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-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 — — US disclosed
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors MERCK PATENT GMBH (DE) 2024-01-16 — — US disclosed
US-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-06-03 — — 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-20210163487-A1 HETEROARYL COMPOUNDS AS TYPE II IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 EIF4A3 1811/4885GABRA1 1989/4885GABRB1 1557/4885
US-11873303-B2 Substituted pyrazoles as type II IRAK inhibitors IRAK2, IRAK3, IRAK1 EIF4A3 1212/4885GABRA1 2006/4885GABRB1 1446/4885

“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.

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