SCHEMBL358600

SCHEMBL358600

COc1cc(CO[Si](C)(C)C(C)(C)C)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.38
CYP19A1 P11511 2/20 0.37
HTT P42858 2/20 0.37
APP P05067 2/20 0.36
DRD2 P14416 1/20 0.36
DHFR P00374 1/20 0.36
CA2 P00918 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
MET P08581 1/20 0.35
ADRA2B P18089 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL30168383 1.00 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL31584756 0.88 GAA (0.56) ALDH1A1CYP3A4TDP1GAAHPGD
SCHEMBL16610041 0.82 PTPN1 (0.53) ALDH1A1CYP3A4TDP1TSHRGAA
SCHEMBL2497156 0.82 DRD2 (0.39) ALDH1A1GAAHTTDRD2CA2
SCHEMBL5454226 0.81 SKP2 (0.44) ALDH1A1CYP3A4TDP1TSHRHTT
SCHEMBL29649556 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL26015871 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL2596478 0.80 ALDH1A1 (0.36) ALDH1A1CA2
SCHEMBL5778569 0.80 USP14 (0.32) ALDH1A1CYP3A4CA2
SCHEMBL12191689 0.80 CRHBP (0.41) ALDH1A1GAAHPGDCYP19A1HTT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023014907-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
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
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-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
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
CN-102985426-B Pyrazolo [1,5A ] pyrimidine and thieno [3,2B ] pyrimidine derivatives as IRAK4 modulators F. HOFFMANN-LA ROCHE AG (CH) 2015-10-07 CN disclosed
US-9040019-B2 Methods of detecting myelin basic protein GENERAL ELECTRIC COMPANY (US) 2015-05-26 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
US-20140154178-A1 METHODS OF DETECTING MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2014-06-05 US 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
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US 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
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
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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 (6 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-20140154178-A1 METHODS OF DETECTING MYELIN BASIC PROTEIN MAG, PMP22, MYT1 ALDH1A1 4638/4885CYP3A4 4879/4885TDP1 2103/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885CYP3A4 2599/4885TDP1 178/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885CYP3A4 2599/4885TDP1 178/4885
US-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 ALDH1A1 1426/4885CYP3A4 4479/4885TDP1 1537/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885CYP3A4 2599/4885TDP1 178/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 ALDH1A1 2519/4885CYP3A4 2599/4885TDP1 178/4885

“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.