SCHEMBL4901672

SCHEMBL4901672

CCOC(=O)Cn1c(C)cnc(Br)c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.41
PIN1 Q13526 1/20 0.40
PIN4 Q9Y237 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
SCHEMBL6848928 0.86 TNF (0.49) ALDH1A1KDM4ELMNA
SCHEMBL5885705 0.84 KDM4E (0.49) ALDH1A1KDM4EGSK3AGSK3BCYP1A2
SCHEMBL7451716 0.81 LMNA (0.41) ALDH1A1KDM4ELMNA
SCHEMBL14281098 0.81 RAB9A (0.44) ALDH1A1KDM4ERAB9AKMT2AGAA
SCHEMBL7139116 0.79 KDM4E (0.45) ALDH1A1KDM4EGSK3AGSK3BCYP1A2
SCHEMBL29161288 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EGSK3AGSK3BCYP1A2
SCHEMBL5856969 0.73 FPR2 (0.50) ALDH1A1KDM4EGSK3AGSK3BRAB9A
SCHEMBL23014869 0.71 ALDH1A1 (0.57) ALDH1A1KDM4EGSK3AGSK3BCYP1A2
SCHEMBL23460858 0.71 KDM4E (0.48) ALDH1A1KDM4EGSK3AGSK3BCYP1A2
SCHEMBL12636632 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EGSK3AGSK3BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250129020-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-04-24 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 EP disclosed
US-20080021044-A1 N-[2-[[(DIAMINOMETHYLENE)AMINO]OXY]ETHYL]-3-[(2,2-DIFLUORO-2-PHENYLETHYL)AMINO]-6-METHYL-2-OXO-1(2H)-PYRAZINEACETAMIDE PATEL MITUL N 2008-01-24 US disclosed
US-20080021044-A1 N-[2-[[(DIAMINOMETHYLENE)AMINO]OXY]ETHYL]-3-[(2,2-DIFLUORO-2-PHENYLETHYL)AMINO]-6-METHYL-2-OXO-1(2H)-PYRAZINEACETAMIDE PATEL MITUL N 2008-01-24 US disclosed
US-20080021044-A1 N-[2-[[(DIAMINOMETHYLENE)AMINO]OXY]ETHYL]-3-[(2,2-DIFLUORO-2-PHENYLETHYL)AMINO]-6-METHYL-2-OXO-1(2H)-PYRAZINEACETAMIDE PATEL MITUL N 2008-01-24 US disclosed
WO-2007146553-A2 N-[2-[[(DIAMINOMETHYLENE)AMINO]OXY]ETHYL]-3-[(2,2-DIFLUORO-2-PHENYLETHYL)AMINO]-6-METHYL-2-OXO-1(2H)-PYRAZINEACETAMIDE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-12-21 WO disclosed
WO-2007146553-A2 N-[2-[[(DIAMINOMETHYLENE)AMINO]OXY]ETHYL]-3-[(2,2-DIFLUORO-2-PHENYLETHYL)AMINO]-6-METHYL-2-OXO-1(2H)-PYRAZINEACETAMIDE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-12-21 WO disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-6462050-B1 FOR TREATING OR PREVENTING VENOUS, CARDIOGENIC, AND ARTERIAL THROMBOSIS/EMBOLISM, ATHERSCLEROSIS, AND FOR LOWERING PROPENSITY OF DEVICES THAT COME INTO CONTACT WITH BLOOD TO CLOT BLOOD MERCK & CO., INC. 2002-10-08 US disclosed
US-6455532-B1 ANTICOAGULANTS MERCK & CO., INC. 2002-09-24 US disclosed
US-20020052357-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-05-02 US disclosed
EP-1189899-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-03-27 EP disclosed
US-20020035115-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2002-03-21 US disclosed
WO-2002009711-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-02-07 WO disclosed
US-20020006923-A1 Thrombin inhibitors MERCK & CO., INC. 2002-01-17 US disclosed
WO-2001070229-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-09-27 WO disclosed
WO-2000075134-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-12-14 WO disclosed
US-6011038-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 2000-01-04 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 (7 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-20020052357-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, SERPINE1, TFPI ALDH1A1 2762/4885KDM4E 2813/4885GSK3A 1521/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4701/4885KDM4E 4128/4885GSK3A 4411/4885
US-20020006923-A1 Thrombin inhibitors F2, F11, F12 ALDH1A1 2957/4885KDM4E 1690/4885GSK3A 2455/4885
US-20080021044-A1 N-[2-[[(DIAMINOMETHYLENE)AMINO]OXY]ETHYL]-3-[(2,2-DIFLUORO-2-PHENYLETHYL)AMINO]-6-METHYL-2-OXO-1(2H)-PYRAZINEACETAMIDE DNPEP, SPINT2, PEPD ALDH1A1 910/4885KDM4E 1557/4885GSK3A 3075/4885
US-20020035115-A1 Thrombin inhibitors TFPI, PLAT, F2 ALDH1A1 4534/4885KDM4E 2960/4885GSK3A 1540/4885
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 ALDH1A1 716/4885KDM4E 1302/4885GSK3A 2042/4885
US-20250129020-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4701/4885KDM4E 4128/4885GSK3A 4411/4885

“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.