SCHEMBL21326685

SCHEMBL21326685

CCOC(=O)C1(C)Cc2ccc(F)nc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.36
▸ OPRM1 P35372 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ GLA P06280 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 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
SCHEMBL21326648 0.85 POLB (0.36) L3MBTL1POLBALDH1A1IRAK4MAPT
SCHEMBL30090025 0.72 IRAK4 (0.33) IRAK4
SCHEMBL21326702 0.72 IRAK4 (0.33) IRAK4
SCHEMBL30726842 0.71 BRD4 (0.49) BRD4OPRM1L3MBTL1POLBALDH1A1
SCHEMBL21326606 0.71 IRAK4 (0.33) IRAK4
SCHEMBL29773916 0.71 IRAK4 (0.33) IRAK4
SCHEMBL29773940 0.68 — —
SCHEMBL4769228 0.68 ALDH1A1 (0.39) BRD4POLBALDH1A1KDM4EHPGD
SCHEMBL8948608 0.68 BRD4 (0.42) BRD4OPRM1L3MBTL1POLBALDH1A1
SCHEMBL8948547 0.68 ALPG (0.47) OPRM1L3MBTL1POLBALDH1A1KDM4E

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-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2022-09-06 — — US disclosed
US-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-08-20 — — US disclosed
EP-3535273-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2019-09-11 — — EP 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-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 BRD4 138/4885OPRM1 3046/4885L3MBTL1 2705/4885
US-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 BRD4 138/4885OPRM1 3046/4885L3MBTL1 2705/4885

“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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