SCHEMBL21852669

SCHEMBL21852669

CC(C)(C)OC(=O)N1CC(NC(=O)OCc2ccccc2)C(Oc2cc3c(cc2[N+](=O)[O-])CC(C)(C)O3)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.42
▸ P2RX7 Q99572 7/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ LIN28A Q9H9Z2 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ATM Q13315 1/20 0.33

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
SCHEMBL21852671 1.00 PDE4B (0.42) PDE4BP2RX7BACE1BACE2MEN1
SCHEMBL28407817 0.84 IRAK4 (0.36) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL28407821 0.84 IRAK4 (0.36) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL28405305 0.82 REN (0.35) ATM
SCHEMBL28401644 0.82 REN (0.35) ATM
SCHEMBL21852672 0.81 IRAK4 (0.32) LIN28ATDP1ATM
SCHEMBL20594485 0.81 NAAA (0.33) PDE4BATM
SCHEMBL20595500 0.80 ALDH1A1 (0.36) PDE4BMEN1KMT2AMAPT
SCHEMBL20595499 0.80 ALDH1A1 (0.36) PDE4BMEN1KMT2AMAPT
SCHEMBL20549043 0.75 BCHE (0.45) PDE4BBACE1BACE2MEN1KMT2A

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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 — — US disclosed
CN-111094292-A Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-05-01 — — CN 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 PDE4B 386/4885P2RX7 135/4885BACE1 2969/4885
US-20200123166-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 PDE4B 386/4885P2RX7 135/4885BACE1 2969/4885

“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.

Send feedback