SCHEMBL29820209

SCHEMBL29820209

CC(C)(C)OC(=O)N1CCCC[C@H]1Cn1ncc2cnc(Cl)nc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 1/20 0.52
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ IL1B P01584 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PRMT5 O14744 1/20 0.37
▸ PDE7B Q9NP56 1/20 0.37
▸ ATM Q13315 2/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL29819929 0.97 PDE8B (0.48) PDE8BIRAK4CHEK2IL1BALDH1A1
SCHEMBL29819701 0.97 PDE8B (0.48) PDE8BIRAK4CHEK2IL1BALDH1A1
SCHEMBL27156891 0.97 PDE8B (0.48) PDE8BIRAK4CHEK2IL1BALDH1A1
SCHEMBL29819803 0.93 PDE8B (0.43) PDE8BIRAK4IL1BALDH1A1P2RX7
SCHEMBL27156388 0.86 AURKA (0.36) PDE8BIRAK4CHEK2LMNATSHR
SCHEMBL29819718 0.86 AURKA (0.36) PDE8BIRAK4CHEK2LMNATSHR
SCHEMBL27156392 0.86 AURKA (0.36) PDE8BIRAK4CHEK2LMNATSHR
SCHEMBL27156644 0.86 AURKA (0.36) PDE8BIRAK4CHEK2LMNATSHR
SCHEMBL29819920 0.86 AURKA (0.36) PDE8BIRAK4CHEK2LMNATSHR
SCHEMBL27156730 0.85 AURKA (0.35) PDE8B

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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 — — US disclosed
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF RAPT THERAPEUTICS, INC. 2022-09-29 — — US disclosed
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 — — 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 (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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK PDE8B 1627/4885IRAK4 702/4885CHEK2 54/4885
US-20220305018-A1 PYRAZOLE PYRIMIDINE COMPOUNDS AND USES THEREOF DCK, MCL1, DTYMK PDE8B 1627/4885IRAK4 702/4885CHEK2 54/4885

“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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