SCHEMBL383762

SCHEMBL383762

Clc1cnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 5/20 0.53
SKP1 P63208 5/20 0.53
SKP2 Q13309 5/20 0.53
CNR1 P21554 3/20 0.49
KDM4E B2RXH2 3/20 0.48
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
ADORA2A P29274 5/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.45
ADORA1 P30542 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL29470195 1.00 CKS1B (0.53) CKS1BSKP1SKP2CNR1KDM4E
SCHEMBL30708991 0.96 KDM4E (0.50) CKS1BSKP1SKP2CNR1KDM4E
SCHEMBL30709009 0.87 ADORA2A (0.46) CKS1BSKP1SKP2CNR1KDM4E
SCHEMBL30709007 0.87 ADORA2A (0.46) CKS1BSKP1SKP2CNR1KDM4E
SCHEMBL31468250 0.86 ADORA2A (0.53) CKS1BSKP1SKP2CNR1KDM4E
SCHEMBL4693817 0.83 KDM4E (0.48) CNR1KDM4ELMNAL3MBTL1GAA
SCHEMBL23186821 0.82 CKS1B (0.44) CKS1BSKP1SKP2CNR1KDM4E
SCHEMBL30709005 0.80 CYP2A6 (0.42) CKS1BSKP1SKP2CNR1KDM4E
SCHEMBL5211789 0.79 ADORA1 (0.42) CNR1ADORA2ASMN1; SMN2ADORA1TP53
SCHEMBL4825069 0.79 CNR1 (0.50) CNR1KDM4EL3MBTL1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213343-B Preparation and purification methods of celecoxib intermediate 江苏豪森药业集团有限公司 2024-04-16 CN claimed
CN-117510465-A 5, 6-diphenyl pyrazine-2-piperidine compound and preparation method and application thereof 四川轻化工大学 2024-02-06 CN claimed
CN-117304174-A 5, 6-diphenyl pyrazine-2-nitrogen heterocyclic compound and preparation method and application thereof 四川轻化工大学 2023-12-29 CN claimed
CN-116947766-A Preparation method of celecoxib intermediate 普济生物科技(台州)有限公司 2023-10-27 CN claimed
CN-114213343-A Preparation and purification method of celecoxib intermediate 江苏豪森药业集团有限公司 2022-03-22 CN claimed
US-20190152927-A1 NOVEL PROCESS FOR THE PREPARATION OF 2-{4-[(5,6-DIPHENYL PYRAZIN-2-YL)(ISOPROPYL)AMINO]BUTOXY}-N-(METHYLSULFONYL)ACETAMIDE AND NOVEL POLYMORPHS THEREOF MAITHRI DRUGS PRIVATE LIMITED (IN) 2019-05-23 US claimed
EP-3481807-A1 NOVEL PROCESS FOR THE PREPARATION OF 2-{4-[(5,6-DIPHENYL PYRAZIN-2-YL)(ISOPROPYL)AMINO]BUTOXY}-N-(METHYLSULFONYL)ACETAMIDE AND NOVEL POLYMORPHS THEREOF Maithri Drugs Private Limited (IN) 2019-05-15 EP claimed
CN-107652243-A A kind of preparation method of West pa lattice intermediate 广东赛烽医药科技有限公司 2018-02-02 CN claimed
WO-2018008042-A1 NOVEL PROCESS FOR THE PREPARATION OF 2-{4-[(5,6-DIPHENYL PYRAZIN-2-YL)(ISOPROPYL)AMINO]BUTOXY}-N-(METHYLSULFONYL)ACETAMIDE AND NOVEL POLYMORPHS THEREOF MAITHRI DRUGS PRIVATE LIMITED (IN) 2018-01-11 WO claimed
WO-2017029594-A1 PROCESSES FOR PREPARATION OF SELEXIPAG AND ITS AMORPHOUS FORM DR. REDDY'S LABORATORIES LIMITED (IN) 2017-02-23 WO claimed
CN-105949135-A Synthetic method of selexipag 湖南欧亚生物有限公司 2016-09-21 CN claimed
WO-2025048507-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2025-03-06 WO disclosed
WO-2024142718-A1 MANUFACTURING METHOD FOR SELEXIPAG FORM I CRYSTALS 株式会社トクヤマ 2024-07-04 WO disclosed
CN-118206499-A 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-06-18 CN disclosed
CN-118146165-A 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-06-07 CN disclosed
EP-1400518-A1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-03-24 EP disclosed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 EP disclosed
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 US disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 WO disclosed
US-4046763-A INTERMEDIATE FOR ULTRAVIOLET LIGHT ABSORBERS MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 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 (2 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-20190152927-A1 NOVEL PROCESS FOR THE PREPARATION OF 2-{4-[(5,6-DIPHENYL PYRAZIN-2-YL)(ISOPROPYL)AMINO]BUTOXY}-N-(METHYLSULFONYL)ACETAMIDE AND NOVEL POLYMORPHS THEREOF PKD1, PKD2, CYP2S1 CKS1B 234/4885SKP1 60/4885SKP2 313/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 CKS1B 53/4885SKP1 291/4885SKP2 135/4885

“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.