SCHEMBL220561

SCHEMBL220561

CC1(C)OC[C@@H](CON)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.61
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPK14 Q16539 5/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 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
SCHEMBL220562 1.00 CA2 (0.61) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL220873 1.00 CA2 (0.61) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL7875753 0.83 CA2 (0.59) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL619199 0.81 CA2 (0.58) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL8182426 0.81 CA2 (0.58) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL9284397 0.81 CA2 (0.58) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL5989989 0.80 CA2 (0.41) CA2
SCHEMBL5989992 0.80 CA2 (0.41) CA2
SCHEMBL220982 0.80 CA2 (0.49) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL220983 0.80 CA2 (0.49) CA2ALDH1A1NPSR1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003214-B Substituted pyrazolo [1,5-a ] pyrimidine compounds as TRK kinase inhibitors 阵列生物制药公司 2021-12-21 CN disclosed
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-09-01 US disclosed
US-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors Array BioPharm Inc. (US) 2019-04-09 US disclosed
US-20180263984-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-09-20 US disclosed
EP-3299372-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OFSUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-03-28 EP disclosed
EP-2451812-B1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2017-11-08 EP disclosed
US-9796724-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-24 US disclosed
US-9782415-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-10 US disclosed
US-9682979-B2 Substituted pyrazolo [1,5-A] pyrimidine compounds as TRK kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-06-20 US disclosed
US-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-05-04 US disclosed
US-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2005-08-11 US disclosed
US-20050137263-A1 N-(4 substituted phenyl)-anthranilic acid hydroxamate esters WARNER-LAMBERT COMPANY, LLC 2005-06-23 US disclosed
US-6891066-B2 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters WARNER-LAMBERT COMPANY (US) 2005-05-10 US disclosed
EP-1467968-A1 N-(4-SUBSTITUTED PHENYL)-ANTHRANILIC ACID HYDROXAMATE ESTERS Warner-Lambert Company LLC (US) 2004-10-20 EP disclosed
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids WARNER-LAMBERT COMPANY 2004-03-18 US disclosed
US-20040006245-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters REWCASTLE GORDON WILLIAM (NZ) 2004-01-08 US disclosed
CN-1446197-A Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids WARNER LAMBERT CO (US) 2003-10-01 CN disclosed
WO-2003062191-A1 N-(4-SUBSTITUTED PHENYL)-ANTHRANILIC ACID HYDROXAMATE ESTERS WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 WO disclosed
US-4965270-A Viricides BEECHAM GROUP P.L.C. (GB) 1990-10-23 US disclosed
EP-0294069-A2 Purine compounds, process for their preparation, intermediates and pharmaceutical compositions BEECHAM GROUP PLC (GB) 1988-12-07 EP 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 (8 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-20050176820-A1 Oxygenated esters of 4-iodo phenylamino benzhydroxamic acids CYP4X1, CYP2A7, CYP4B1 CA2 645/4885ALDH1A1 157/4885NPSR1 1734/4885
US-20170119770-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK CA2 4480/4885ALDH1A1 3980/4885NPSR1 1308/4885
US-10251889-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors TXK, FRK, LTK CA2 4480/4885ALDH1A1 3980/4885NPSR1 1308/4885
US-20040054172-A1 Oxygenated esters of 4-lodo phenylamino benzhydroxamic acids CYP4X1, ALOX5, HAAO CA2 772/4885ALDH1A1 200/4885NPSR1 2165/4885
US-20050137263-A1 N-(4 substituted phenyl)-anthranilic acid hydroxamate esters PAH, EGLN3, PAOX CA2 311/4885ALDH1A1 377/4885NPSR1 1260/4885
US-20040006245-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters HCAR2, EGLN3, AADAC CA2 288/4885ALDH1A1 436/4885NPSR1 1343/4885
US-20180263984-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS TXK, FRK, LTK CA2 4480/4885ALDH1A1 3980/4885NPSR1 1308/4885
US-10758542-B2 Substituted pyrazolo[l,5-a]pyrimidine compounds as Trk kinase inhibitors LTK, TXK, FRK CA2 4514/4885ALDH1A1 4131/4885NPSR1 1458/4885

“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.