SCHEMBL325244

SCHEMBL325244

O=C(O)c1n[nH]c2cncnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.36
GRM4 Q14833 1/20 0.36
PRKAG1 P54619 4/20 0.33
PRKAA1 Q13131 4/20 0.33
PRKAB1 Q9Y478 4/20 0.33
RPS6KB1 P23443 1/20 0.33
AKT1 P31749 1/20 0.33
DYRK1A Q13627 2/20 0.33
HAO1 Q9UJM8 1/20 0.33
KMT2A Q03164 1/20 0.33
WNT1 P04628 1/20 0.32
TSHR P16473 1/20 0.32
PRKAB2 O43741 3/20 0.32
PRKAA2 P54646 3/20 0.32
PRKAG3 Q9UGI9 3/20 0.32
PRKAG2 Q9UGJ0 3/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
FLT3 P36888 1/20 0.31
CCNA1 P78396 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
SCHEMBL30343654 0.84 RPS6KB1 (0.38) GRM4RPS6KB1AKT1DYRK1AWNT1
SCHEMBL5084942 0.84 RPS6KB1 (0.38) GRM4RPS6KB1AKT1DYRK1AWNT1
SCHEMBL352379 0.73 GRM4 (0.39) GRM4
SCHEMBL4099666 0.72 TYRO3 (0.41) HCAR2PRKAG1PRKAA1PRKAB1KMT2A
SCHEMBL5315944 0.71 GRM4 (0.49) GRM4HAO1TSHRCCNA2CDK2
SCHEMBL30002581 0.71 HCAR2 (0.36) HCAR2PRKAG1PRKAA1PRKAB1RPS6KB1
SCHEMBL16516910 0.71 HCAR2 (0.36) HCAR2PRKAG1PRKAA1PRKAB1RPS6KB1
SCHEMBL31133393 0.71 GRM4 (0.49) GRM4HAO1TSHRCCNA2CDK2
SCHEMBL1558505 0.70 CSNK2A2 (0.35) PRKAG1PRKAA1PRKAB1RPS6KB1AKT1
SCHEMBL473390 0.69 GRM4 (0.46) GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561852-A Pyrimidopyrazoles oxazolines compound and preparation method and application thereof 贵州大学 2024-08-30 CN disclosed
CN-116836168-A 7-difluoromethyl-5-arylpyrazolopyrimidine compound and preparation and application thereof 浙江大学 2023-10-03 CN disclosed
CN-115650984-A Preparation method of anagliptin 江苏君若药业有限公司 2023-01-31 CN disclosed
CN-115650984-A Preparation method of anagliptin 江苏君若药业有限公司 2023-01-31 CN disclosed
CN-114805469-A Betulinic acid derivative containing pyrazole, preparation method and application thereof 中国科学院上海药物研究所 2022-07-29 CN 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-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2019-03-28 US disclosed
CN-106866680-B A kind of 3- aryl-6-carboxyamide pyrazoles simultaneously [1,5-a] pyrimidines and its application 陕西理工大学 2019-02-01 CN disclosed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 US disclosed
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 US disclosed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 WO disclosed
WO-2005123738-A1 PYRRAZOLO-PYRIMIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-12-29 WO disclosed
US-20050282827-A1 Pyrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 US disclosed
US-20050215569-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2005-09-29 US disclosed
EP-1506196-A2 PYRAZOLOPYRIMIDINES Icagen, Inc. (US) 2005-02-16 EP disclosed
US-6833371-B2 Contacting cell with a sodium channel-inhibiting amount of a compound comprising a pyrazolopyrimidine moiety for decreasing ion flow through a voltage-dependent sodium channel in a cell ICAGEN, INC. 2004-12-21 US disclosed
US-20030176450-A1 Pyrazolopyrimidines ICAGEN, INC. (US) 2003-09-18 US disclosed
WO-2003037900-A2 PYRAZOLOPYRIMIDINES ICAGEN, INC. (US) 2003-05-08 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 (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-20050215569-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 HCAR2 908/4885GRM4 382/4885PRKAG1 1653/4885
US-20050282827-A1 Pyrazolo-pyrimidine derivatives P2RX3, P2RX1, P2RX5 HCAR2 1073/4885GRM4 1300/4885PRKAG1 2063/4885
US-20030176450-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 HCAR2 908/4885GRM4 382/4885PRKAG1 1653/4885
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives GRM1, GRM2, GRM3 HCAR2 123/4885GRM4 4/4885PRKAG1 1315/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 HCAR2 2141/4885GRM4 176/4885PRKAG1 2008/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 HCAR2 1536/4885GRM4 135/4885PRKAG1 940/4885

“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.