SCHEMBL5847585

SCHEMBL5847585

N#Cc1nn(-c2ccccc2)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 2/20 0.56
THRA P10827 13/20 0.47
THRB P10828 13/20 0.47
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
USP8 P40818 1/20 0.41
USP7 Q93009 1/20 0.41
CTSK P43235 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10419916 0.83 GRM1 (0.45) BCAT1THRATHRBCYP2C8CYP2C9
SCHEMBL16703956 0.81 L3MBTL1 (0.60) THRATHRBCYP2C8CYP2C9SMN1; SMN2
SCHEMBL13548230 0.81 THRA (0.43) BCAT1THRATHRBCYP2C8CYP2C9
SCHEMBL10925020 0.80 BCAT1 (0.39) BCAT1THRATHRBCYP2C8CYP2C9
SCHEMBL10925017 0.80 BCAT1 (0.39) BCAT1THRATHRBCYP2C8CYP2C9
SCHEMBL29789606 0.79 THRA (0.55) BCAT1THRATHRBCYP2C8CYP2C9
SCHEMBL3584424 0.79 HPN (0.47) THRATHRBCYP2C9SMN1; SMN2ALDH1A1
SCHEMBL23168767 0.78 THRA (0.58) BCAT1THRATHRBCYP2C8CYP2C9
SCHEMBL16709414 0.78 THRA (0.43) BCAT1THRATHRBCYP2C8CYP2C9
SCHEMBL4070661 0.78 THRA (0.46) BCAT1THRATHRBCYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107652300-B The podophyllotoxin analogue of the structure of triazinone containing 1,2,4- and its application 辽宁大学 2019-08-09 CN claimed
EP-3927693-B1 2-PHENYL-3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBONITRILE DERIVATIVES AND SIMILAR COMPOUNDS AS THYROID HORMONE RECEPTOR AGONISTS FOR THE TREATMENT OF E.G. OBESITY NANJING RUIJIE PHARMA CO LTD (CN) 2026-05-06 EP disclosed
CN-112300133-B Heterocyclic compound and application thereof 深圳微芯生物科技股份有限公司 2024-07-30 CN disclosed
CN-113620873-B Preparation method and application of zinc-containing binding group and quinoline skeleton compound 沈阳药科大学 2023-12-08 CN disclosed
WO-2022184177-A1 AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 甫康(上海)健康科技有限责任公司 2022-09-09 WO disclosed
CN-114685450-A 2-pyridone derivative, preparation method and medical application thereof 昆药集团股份有限公司 2022-07-01 CN disclosed
CN-113620873-A Preparation method and application of compound containing zinc binding group and quinoline skeleton 沈阳药科大学 2021-11-09 CN disclosed
CN-112876457-A Novel 4-phenoxypyridine derivative and application thereof 辽宁大学 2021-06-01 CN disclosed
WO-2021078274-A1 PYRIDAZINONE OR PYRIDAZINE COMPOUND AND DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF 苏州泽璟生物制药股份有限公司 2021-04-29 WO disclosed
CN-110684013-A 4-phenoxypyridine derivatives containing 3-pyridazinone, 4-pyridazinone and 1,2, 4-triazinone structures and application thereof 辽宁大学 2020-01-14 CN disclosed
US-20140371221-A1 QUINOLINE COMPOUND COMPOSING 1,2,4-TRIAZINE-DIONE AND USE THEREOF WUHAN SHENGYUN BIOPHARMA CO., LTD. (CN) 2014-12-18 US disclosed
US-8822465-B2 Quinoline compound composing 1,2,4-triazine-dione and use thereof WUHAN SHENGYUN BIOPHARMA CO., LTD. (CN) 2014-09-02 US disclosed
US-20130252958-A1 QUINOLINE COMPOUND COMPOSING 1,2,4-TRIAZINE-DIONE AND USE THEREOF WUHAN SHENGYUN BIOPHARMA CO., LTD. (CN) 2013-09-26 US disclosed
US-7015230-B1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 US disclosed
US-6716838-B1 INHIBITORS OF SERINE PROTEASES OF THE COAGULATION CASCADE PHARMACIA CORPORATION 2004-04-06 US disclosed
US-20030023086-A1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-01-30 US disclosed
US-6458952-B1 ENZYME INHIBITORS FOR SERINE METHODS FOR PREVENTING AND TREATING THROMBOTIC CONDITIONS SUCH AS CORONARY ARTERY AND CEREBROVASCULAR DISEASE WITH COMPOUNDS THAT INHIBIT SERINE PROTEASES OF THE COAGULATION CASCADE. PHARMACIA CORPORATION 2002-10-01 US disclosed
EP-1178971-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS Pharmacia Corporation (US) 2002-02-13 EP disclosed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 WO disclosed
WO-2000069833-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS PHARMACIA CORPORATION (US) 2000-11-23 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-20130252958-A1 QUINOLINE COMPOUND COMPOSING 1,2,4-TRIAZINE-DIONE AND USE THEREOF MET, RET, KRAS BCAT1 4305/4885THRA 523/4885THRB 576/4885
US-20030023086-A1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade TFPI, PLAT, PLAU BCAT1 371/4885THRA 3792/4885THRB 3270/4885
US-20140371221-A1 QUINOLINE COMPOUND COMPOSING 1,2,4-TRIAZINE-DIONE AND USE THEREOF RET, MET, RAF1 BCAT1 4229/4885THRA 349/4885THRB 389/4885

“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.