SCHEMBL434862

SCHEMBL434862

Nc1cc2c(cc1Br)C(=O)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.51
CASP7 P55210 2/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PBRM1 Q86U86 1/20 0.41
HSD17B1 P14061 3/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
GRM5 P41594 1/20 0.35
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PRKCI P41743 1/20 0.32
APAF1 O14727 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL29618363 0.92 CASP7 (0.50) TYMSCASP7CASP1HSD17B10PBRM1
SCHEMBL2300153 0.92 CASP7 (0.50) TYMSCASP7CASP1HSD17B10PBRM1
SCHEMBL23051659 0.83 PBRM1 (0.47) TYMSCASP7CASP1HSD17B10PBRM1
SCHEMBL31591224 0.83 PBRM1 (0.47) TYMSCASP7CASP1HSD17B10PBRM1
SCHEMBL460543 0.83 CASP1 (0.57) TYMSCASP7CASP1HSD17B10PBRM1
SCHEMBL21772243 0.81 MEN1 (0.49) TYMSCASP7CASP1HSD17B10HSD17B1
SCHEMBL15180109 0.80 HSD17B10 (0.50) TYMSCASP7CASP1HSD17B10PBRM1
SCHEMBL30957305 0.76 CASP1 (0.50) CASP7CASP1HSD17B10PBRM1HSD17B1
SCHEMBL21505155 0.76 CASP1 (0.50) CASP7CASP1HSD17B10PBRM1HSD17B1
SCHEMBL1025098 0.76 HSD17B10 (0.50) TYMSCASP7CASP1HSD17B10PBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 US disclosed
CN-108473498-B Pyrazolo [1,5a ] pyrimidine derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2021-11-02 CN disclosed
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
US-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-06-15 US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
EP-2595966-B1 SYNTHESIS OF CYCLOPENTAQUINAZOLINES BTG INT LTD (GB) 2020-10-28 EP disclosed
EP-2595966-B1 SYNTHESIS OF CYCLOPENTAQUINAZOLINES BTG INT LTD (GB) 2020-10-28 EP 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
EP-3642204-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2020-04-29 EP disclosed
US-7250511-B2 Process for the preparation of cyclopenta[g]quinazoline derivatives BTG INTERNATIONAL LIMITED (GB) 2007-07-31 US disclosed
US-20040266798-A1 Process for the preparation of cyclopenta[g]quinazoline derivatives BTG INTERNATIONAL LIMITED (GB) 2004-12-30 US disclosed
EP-1421069-A1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[G]QUINAZOLINE DERIVATIVES BTG International Limited (GB) 2004-05-26 EP disclosed
US-RE38103-E1 5-methanesulfonamido-1-indanones as an inhibitor of cyclooxygenase-2 MERCK FROSST CANADA & CO. (CA) 2003-04-29 US disclosed
WO-2003020706-A1 PROCESS FOR THE PREPARATION OF CYCLOPENTA[g]QUINAZOLINE DERIVATIVES BTG INTERNATIONAL LIMITED (GB) 2003-03-13 WO disclosed
EP-0673366-B1 5-METHANESULFONAMIDO-1-INDANONES AS AN INHIBITOR OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 1998-10-14 EP disclosed
US-5604260-A 5-methanesulfonamido-1-indanones as an inhibitor of cyclooxygenase-2 MERCK FROSST CANADA INC. (CA) 1997-02-18 US disclosed
EP-0673366-A1 5-METHANESULFONAMIDO-1-INDANONES AS AN INHIBITOR OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 1995-09-27 EP disclosed
US-5409944-A Enzyme inhibitors, antiinflammatory agent, antiseptic agent MERCK FROSST CANADA, INC. (CA) 1995-04-25 US disclosed
WO-1994013635-A1 5-METHANESULFONAMIDO-1-INDANONES AS AN INHIBITOR OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 1994-06-23 WO 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-11034698-B2 Pyrazolo[ 1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 TYMS 171/4885CASP7 971/4885CASP1 23/4885
US-20040266798-A1 Process for the preparation of cyclopenta[g]quinazoline derivatives COX6A1, MT-ND6, CYP2D6 TYMS 4471/4885CASP7 1394/4885CASP1 2488/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 TYMS 211/4885CASP7 758/4885CASP1 14/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 TYMS 297/4885CASP7 1022/4885CASP1 14/4885

“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.