SCHEMBL16146937

SCHEMBL16146937

CC(C)Oc1ccc(Cl)cc1C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.60
SLC9A1 P19634 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAP2 P11137 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
RORC P51449 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
P2RX3 P56373 1/20 0.43
MAPT P10636 1/20 0.43
PARP10 Q53GL7 1/20 0.42
HMOX1 P09601 1/20 0.42

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
SCHEMBL3045049 0.86 KMT2A (0.52) IRAK4SLC9A1ALDH1A1MAP2GLA
SCHEMBL17040592 0.85 TSHR (0.53) IRAK4SLC9A1ALDH1A1KDM4EGAA
SCHEMBL12505436 0.83 ALDH1A1 (0.46) IRAK4ALDH1A1KDM4EGLAGAA
SCHEMBL17040563 0.83 ALDH1A1 (0.57) SLC9A1ALDH1A1KDM4EGAARORC
SCHEMBL3412460 0.82 ABL1 (0.53) SLC9A1ALDH1A1TSHRHTR2AHTR2C
Hydrochloric Acid SCHEMBL3045694 0.81 CSNK2A1 (0.47) IRAK4SLC9A1ALDH1A1MAP2TSHR
SCHEMBL30739434 0.81 IRAK4 (0.62) IRAK4KMT2AMKNK1MKNK2PARP10
SCHEMBL12180295 0.81 IRAK4 (0.62) IRAK4MKNK1MKNK2PARP10
SCHEMBL31207306 0.81 MAPT (0.60) ALDH1A1KDM4EGLAGAATSHR
SCHEMBL726267 0.81 MAPT (0.60) ALDH1A1KDM4EGLAGAATSHR

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 8 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
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US 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 (4 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885SLC9A1 4727/4885ALDH1A1 2519/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885SLC9A1 4727/4885ALDH1A1 2519/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885SLC9A1 4727/4885ALDH1A1 2519/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885SLC9A1 4727/4885ALDH1A1 2519/4885

“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.