Sugi Predict

Sugi Predict / Compounds / Pyrazole

Pyrazole

Pyrazole

SCHEMBL358845

O=C(O)c1ncccn1.c1cn[nH]c1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 3/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ AGER Q15109 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.32
▸ KMO O15229 5/20 0.32

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
Pyrazole SCHEMBL357858 0.82 P2RX7 (0.39) P2RX7KDM4ECTNNB1WNT3ATSHR
Pyrazole SCHEMBL5064075 0.80 HCAR2 (0.31) HCAR2
Pyrazole SCHEMBL20495491 0.80 — —
SCHEMBL27677548 0.80 NAPRT (0.50) NAPRTL3MBTL1LMNAP4HTMP2RX7
SCHEMBL108190 0.80 — —
Oxalic Acid SCHEMBL27705066 0.78 HCAR2 (0.30) HCAR2
Oxalic Acid SCHEMBL27899728 0.78 HCAR2 (0.30) HCAR2
2-Picolinic Acid SCHEMBL9805822 0.78 LMNA (0.69) NAPRTL3MBTL1LMNAP4HTMKDM4E
Hydrochloric Acid SCHEMBL2553231 0.78 NAPRT (0.48) NAPRTL3MBTL1LMNAP4HTMP2RX7
SCHEMBL27638967 0.78 NAPRT (0.48) NAPRTL3MBTL1LMNAP4HTMP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 — — US disclosed
WO-2008015270-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 — — WO disclosed
EP-1506196-A4 PYRAZOLOPYRIMIDINES ICAGEN INC (US) 2008-01-02 — — EP disclosed
CN-1964973-A Pyrrazolo-pyrimidine derivatives HOFFMANN LA ROCHE (CH) 2007-05-16 — — CN disclosed
US-7098335-B2 Pyrazolopyrimidine compositions ICAGEN, INC. (US) 2006-08-29 — — 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 NAPRT 250/4885L3MBTL1 4822/4885LMNA 3875/4885
US-20030176450-A1 Pyrazolopyrimidines SCN3A, TRPV3, P2RX3 NAPRT 250/4885L3MBTL1 4822/4885LMNA 3875/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 NAPRT 2343/4885L3MBTL1 1658/4885LMNA 2020/4885
US-20190091195-A1 USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER DDOST, DCLRE1A, OGG1 NAPRT 587/4885L3MBTL1 652/4885LMNA 1414/4885
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM3, GRM1 NAPRT 4443/4885L3MBTL1 3344/4885LMNA 4666/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 NAPRT 2343/4885L3MBTL1 1658/4885LMNA 2020/4885

“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.