SCHEMBL5856969

SCHEMBL5856969

CCOC(=O)Cn1ccnc(Br)c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.50
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
ESR2 Q92731 1/20 0.41
KMT2A Q03164 2/20 0.40
PIN1 Q13526 1/20 0.40
PIN4 Q9Y237 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL12636573 0.84 FPR2 (0.46) FPR2GSK3AGSK3BALDH1A1KDM4E
SCHEMBL12636575 0.84 FPR2 (0.46) FPR2GSK3AGSK3BALDH1A1KDM4E
SCHEMBL9185808 0.83 FPR2 (0.53) FPR2GSK3AGSK3BALDH1A1KDM4E
SCHEMBL368204 0.80 POLB (0.51) FPR2GSK3AGSK3BALDH1A1KDM4E
SCHEMBL27523728 0.77 FPR2 (0.47) FPR2GSK3AGSK3BALDH1A1KDM4E
SCHEMBL2825741 0.77 FPR2 (0.56) FPR2GSK3AGSK3BALDH1A1MITF
SCHEMBL13610873 0.77 FPR2 (0.47) FPR2GSK3AGSK3BALDH1A1KDM4E
SCHEMBL926457 0.76 KMT2A (0.36) FPR2ALDH1A1KDM4EPOLBKMT2A
SCHEMBL16607297 0.75 ALDH1A1 (0.46) FPR2GSK3AGSK3BALDH1A1KDM4E
SCHEMBL21539521 0.75 FPR2 (0.54) FPR2GSK3AGSK3BMITFLMNA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541580-B2 Process for the preparation of pyrazinone thrombin inhibitor and its intermediates DIAKRON PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-8541580-B2 Process for the preparation of pyrazinone thrombin inhibitor and its intermediates DIAKRON PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
WO-2011056806-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed
US-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-05 US disclosed
US-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-05 US 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-7026324-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-04-11 US disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 US disclosed
EP-1359913-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-11-12 EP disclosed
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 US disclosed
WO-2003011222-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2003-02-13 WO disclosed
EP-1259506-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2002-11-27 EP disclosed
WO-2002064140-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
US-6387911-B1 Pyrazinone thrombin inhibitors MERCK & CO., INC. 2002-05-14 US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 EP disclosed
WO-2001038323-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2001-05-31 WO disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 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-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 FPR2 446/4885GSK3A 2211/4885GSK3B 1826/4885
US-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES TFPI, TFPI2, F2 FPR2 678/4885GSK3A 3238/4885GSK3B 3138/4885
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 FPR2 466/4885GSK3A 2042/4885GSK3B 1670/4885

“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.