SCHEMBL16146337

SCHEMBL16146337

NC(=O)c1cc(Cl)ccc1OC1CCC(N)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.46
GRIK1 P39086 4/20 0.45
GRIA2 P42262 2/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
RORC P51449 1/20 0.41
CNR2 P34972 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
ROCK2 O75116 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
Hydrochloric Acid SCHEMBL12505416 0.99 GRIK1 (0.46) IRAK4GRIK1GRIA2KDM4EALDH1A1
SCHEMBL12505397 0.89 IRAK4 (0.49) IRAK4GRIK1GRIA2KDM4EALDH1A1
SCHEMBL16146199 0.87 MKNK1 (0.49) GRIK1GRIA2KDM4EALDH1A1GLA
SCHEMBL12505378 0.84 GRIK1 (0.49) IRAK4GRIK1GRIA2KDM4EALDH1A1
SCHEMBL5372678 0.84 MKNK1 (0.51) IRAK4GRIK1GRIA2
Hydrochloric Acid SCHEMBL12505373 0.83 MKNK1 (0.50) IRAK4GRIK1GRIA2
Hydrochloric Acid SCHEMBL12505418 0.83 GRIK1 (0.50) IRAK4GRIK1GRIA2KDM4EALDH1A1
SCHEMBL3285822 0.81 EPHX2 (0.42) GRIK1GRIA2PDE4B
SCHEMBL930108 0.80 GRIK1 (0.52) GRIK1GRIA2RORCCNR2NPC1
SCHEMBL929640 0.80 GRIK1 (0.62) GRIK1GRIA2ALDH1A1GAARORC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP claimed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 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-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885GRIK1 354/4885GRIA2 705/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885GRIK1 354/4885GRIA2 705/4885

“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.