SCHEMBL4030359

SCHEMBL4030359

NC(=O)c1cc(Cl)ccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.63
CASP1 P29466 2/20 0.54
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
GRM2 Q14416 2/20 0.48
MAP2 P11137 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.47
MAPK1 P28482 1/20 0.47
IKBKB O14920 3/20 0.47
CNR1 P21554 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
CHUK O15111 1/20 0.45
IKBKE Q14164 1/20 0.45
PKMYT1 Q99640 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL4026009 0.87 PARP1 (0.52) BCAT2CASP1ALDH1A1KDM4EGLA
SCHEMBL17609420 0.87 BCAT2 (0.61) BCAT2CASP1ALDH1A1KDM4EGLA
SCHEMBL4280740 0.85 FOLH1 (0.59) CASP1ALDH1A1PTGDR2TP53
SCHEMBL12505479 0.84 HSD17B10 (0.53) BCAT2CASP1ALDH1A1KDM4EGLA
SCHEMBL12505389 0.83 TSHR (0.46) BCAT2CASP1ALDH1A1KDM4EGLA
SCHEMBL17277091 0.81 MAP2 (0.48) BCAT2ALDH1A1KDM4EMAP2PTGDR2
SCHEMBL944091 0.81 BCAT2 (0.63) BCAT2CASP1IKBKBMAPTCHUK
SCHEMBL3794623 0.81 BCAT2 (0.63) BCAT2CASP1ALDH1A1KDM4EPTGDR2
SCHEMBL12505498 0.81 IKBKB (0.47) BCAT2CASP1ALDH1A1KDM4EGLA
SCHEMBL28665309 0.81 ALDH1A1 (0.62) BCAT2ALDH1A1KDM4EGAAPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113831280-A Preparation method of boscalid 上海埃农生物科技有限公司 2021-12-24 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
EP-1252140-B1 PYRROLECARBOXAMIDES AND PYRROLETHIOAMIDES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-05-13 EP claimed
CN-113831280-B Preparation method of boscalid 上海埃农生物科技有限公司 2023-08-15 CN disclosed
CN-113831280-A Preparation method of boscalid 上海埃农生物科技有限公司 2021-12-24 CN disclosed
CN-113831280-A Preparation method of boscalid 上海埃农生物科技有限公司 2021-12-24 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
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
US-20090216027-A1 MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2009-08-27 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 (5 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 BCAT2 2611/4885CASP1 115/4885ALDH1A1 2519/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 BCAT2 2611/4885CASP1 115/4885ALDH1A1 2519/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 BCAT2 2611/4885CASP1 115/4885ALDH1A1 2519/4885
US-20090216027-A1 MICROBIOCIDAL (E.G. FUNGICIDAL) 1,2,3-TRIAZOLE DERIVATIVES CBR3, CCR4, CBR1 BCAT2 2562/4885CASP1 169/4885ALDH1A1 1422/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 BCAT2 2611/4885CASP1 115/4885ALDH1A1 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.