SCHEMBL21852672

SCHEMBL21852672

CC1(C)Cc2cc([N+](=O)[O-])c(OC3CN(C(=O)O)C(C(C)(C)C)C3NC(=O)OCc3ccccc3)cc2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.32
▸ ATM Q13315 2/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ PSMB11 A5LHX3 1/20 0.32
▸ PSMA7 O14818 1/20 0.32
▸ CAPN1 P07384 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CAPN2 P17655 1/20 0.32
▸ PSMB1 P20618 1/20 0.32
▸ PSMA1 P25786 1/20 0.32
▸ PSMA2 P25787 1/20 0.32
▸ PSMA3 P25788 1/20 0.32
▸ PSMA4 P25789 1/20 0.32
▸ PSMB8 P28062 1/20 0.32
▸ PSMB9 P28065 1/20 0.32
▸ PSMA5 P28066 1/20 0.32
▸ PSMB4 P28070 1/20 0.32
▸ PSMB6 P28072 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
SCHEMBL20594485 0.89 NAAA (0.33) IRAK4ATMBRD4BRD2BRD3
SCHEMBL21852669 0.81 PDE4B (0.42) ATMTDP1LIN28A
SCHEMBL21852671 0.81 PDE4B (0.42) ATMTDP1LIN28A
SCHEMBL20595501 0.80 IRAK4 (0.32) IRAK4TDP1ALDH1A1
SCHEMBL28405305 0.80 REN (0.35) ATMPSMB11PSMA7CAPN1CTSB
SCHEMBL28401644 0.80 REN (0.35) ATMPSMB11PSMA7CAPN1CTSB
SCHEMBL28407821 0.79 IRAK4 (0.36) IRAK4ATMBRD4BRD2BRD3
SCHEMBL28407817 0.79 IRAK4 (0.36) IRAK4ATMBRD4BRD2BRD3
SCHEMBL20974421 0.72 ALDH1A1 (0.42) CTSBCA1CA2ALDH1A1GAA
SCHEMBL2540745 0.72 ALDH1A1 (0.42) CTSBCA1CA2ALDH1A1GAA

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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 — — US disclosed
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-23 — — 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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885ATM 288/4885BRD4 284/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885ATM 288/4885BRD4 284/4885

“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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