SCHEMBL12505440

SCHEMBL12505440

NC(=O)c1cc(Cl)ccc1Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.65
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
BRD4 O60885 3/20 0.52
L3MBTL1 Q9Y468 6/20 0.51
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RHEB Q15382 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
SERPINE1 P05121 1/20 0.47

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
SCHEMBL8274395 0.89 PTGER4 (0.52) CTNNB1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30974617 0.89 CTNNB1 (0.51) CTNNB1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL29251268 0.89 CTNNB1 (0.51) CTNNB1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL27623179 0.87 CTNNB1 (0.65) CTNNB1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL22891351 0.87 CYP1A2 (0.57) CTNNB1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12505432 0.86 PARP10 (0.49) CTNNB1CYP1A2CYP2C9CYP2C19BRD4
SCHEMBL11354413 0.85 CYP1A2 (0.56) CTNNB1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12505384 0.85 STK39 (0.51) CTNNB1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28949682 0.84 CYP1A2 (0.54) CTNNB1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9948495 0.84 CYP1A2 (0.54) CTNNB1CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003219-A Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-07-12 CN claimed
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
CN-110003219-A Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-07-12 CN disclosed
CN-105367577-B Pyrazolo [1,5A] pyrimidine and thieno [3,2B] pyrimidine derivatives as IRAK4 regulator 弗·哈夫曼-拉罗切有限公司 2019-04-23 CN disclosed
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
CN-101935301-B Modulators of ATP-binding cassette transporters VERTEX PHARMA 2013-10-16 CN disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
CN-101006076-B Modulators of ATP-binding cassette transporters VERTEX PHARMA 2010-09-29 CN disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN disclosed
CN-1279044-C Non-steroidal progesterone receptor modulators AKZO NOBEL NV (NL) 2006-10-11 CN disclosed
CN-1649879-A Non-steroidal progesterone receptor modulators AKZO NOBEL NV (NL) 2005-08-03 CN 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 CTNNB1 2293/4885CYP1A2 3515/4885CYP3A4 2599/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 CTNNB1 2293/4885CYP1A2 3515/4885CYP3A4 2599/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 CTNNB1 2293/4885CYP1A2 3515/4885CYP3A4 2599/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 CTNNB1 2293/4885CYP1A2 3515/4885CYP3A4 2599/4885

“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.