SCHEMBL360425

SCHEMBL360425

O=c1[nH]c2cccnc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.55
AURKA O14965 1/20 0.55
KDM4E B2RXH2 1/20 0.52
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
DAO P14920 3/20 0.50
ATAD2 Q6PL18 1/20 0.50
PDE2A O00408 1/20 0.49
PDE6D O43924 1/20 0.49
PDE8A O60658 1/20 0.49
PDE5A O76074 1/20 0.49
PDE9A O76083 1/20 0.49
PDE8B O95263 1/20 0.49
PDE6A P16499 1/20 0.49
PDE6G P18545 1/20 0.49

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
SCHEMBL4784667 0.92 PARP1 (0.49) PARP1AURKAKDM4EGRIN2DGRIN3B
SCHEMBL340944 0.83 PRKD3 (0.49) PARP1AURKAKDM4EDAOATAD2
SCHEMBL29480586 0.83 PRKD3 (0.49) PARP1AURKAKDM4EDAOATAD2
Hydrochloric Acid SCHEMBL30775701 0.81 PRKD3 (0.47) PARP1AURKAKDM4EDAOATAD2
Hydrochloric Acid SCHEMBL30594385 0.81 PRKD3 (0.47) PARP1AURKAKDM4EDAOATAD2
SCHEMBL2121736 0.76 PRKD3 (0.44) PARP1AURKAKDM4EDAOATAD2
SCHEMBL14890226 0.76 PARP1 (0.46) PARP1AURKAKDM4EDAOATAD2
Biphenyl SCHEMBL28782742 0.75 GSK3A (0.63) PARP1AURKAKDM4EPDE2APDE3B
SCHEMBL259028 0.74 MAPT (0.52) PARP1AURKAKDM4E
SCHEMBL29967265 0.74 MAPT (0.52) PARP1AURKAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023229380-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO claimed
WO-2022072783-A1 BICYCLIC DIONE COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2022-04-07 WO claimed
CN-119192357-A Antibodies and methods for treating influenza a infection 胡默波斯生物医学公司 2024-12-27 CN disclosed
CN-115803328-B Piperazine-2, 3-dione derivatives and their use in medicine 成都百裕制药股份有限公司 2024-07-23 CN disclosed
WO-2023229378-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO disclosed
WO-2023229380-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 WO disclosed
US-11633415-B2 Compounds and methods useful for treating or preventing cancers THE BROAD INSTITUTE, INC. (US) 2023-04-25 US disclosed
CN-115803328-A Piperazine-2, 3-dione derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-03-14 CN disclosed
WO-2022114812-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2022-06-02 WO disclosed
EP-3504208-A1 TRIAZOLOPYRAZINONE DERIVATIVE USEFUL AS A HUMAN PDE1 INHIBITOR Eli Lilly and Company (US) 2019-07-03 EP disclosed
WO-2018183936-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING OR PREVENTING CANCERS THE BROAD INSTITUTE, INC. (US) 2018-10-04 WO disclosed
US-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2007-06-28 US disclosed
US-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2007-06-28 US disclosed
US-20070123494-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE ZENTARIS GMBH (DE) 2007-05-31 US disclosed
US-20070123494-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE ZENTARIS GMBH (DE) 2007-05-31 US disclosed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 WO disclosed
US-5863916-A 8-aza, 6-aza and 6,8-diaza-1,4-dihydroquinoxaline-2,3-diones and the use thereof as antagonists for the glycine/NMDA receptor STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER-EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1999-01-26 US disclosed
US-5620978-A 8-aza, 6-aza and 6,8-diaza-1,4-dihydroquinoxaline-2,3-diones and the use thereof as antagonists for the glycine/NMDA receptor STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
EP-0743855-A1 8-AZA, 6-AZA AND 6,8-DIAZA-1,4-DIHYDROQUINOXALINE-2,3-DIONES AND THE USE THEREOF AS ANTAGONISTS FOR THE GLYCINE/NMDA RECEPTOR ACEA PHARMACEUTICALS, INC. (US) 1996-11-27 EP disclosed
WO-1995018616-A2 8-AZA, 6-AZA AND 6,8-DIAZA-1,4-DIHYDROQUINOXALINE-2,3-DIONES AND THE USE THEREOF AS ANTAGONISTS FOR THE GLYCINE/NMDA RECEPTOR ACEA PHARM INC (US) 1995-07-13 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 (3 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-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 PARP1 840/4885AURKA 284/4885KDM4E 1430/4885
US-20070123494-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE PLPBP, PDXK, MAP4K2 PARP1 772/4885AURKA 1976/4885KDM4E 3922/4885
US-11633415-B2 Compounds and methods useful for treating or preventing cancers CSNK1A1, CSNK2A1, CSNK2A3 PARP1 179/4885AURKA 362/4885KDM4E 366/4885

“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.