SCHEMBL221865

SCHEMBL221865

NCC(F)(F)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH1 P35367 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.40
LOX P28300 1/20 0.39
AHR P35869 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
GRIN2B Q13224 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL1872249 0.85 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1KDM4ELMNAPOLB
SCHEMBL7742363 0.81 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRNOS3NOS1
SCHEMBL29896219 0.79 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRGRIN2BKDM4E
SCHEMBL2466203 0.79 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRKDM4ELMNA
SCHEMBL1872051 0.79 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRGRIN2BKDM4E
SCHEMBL5854793 0.79 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRGRIN2BKDM4E
SCHEMBL16234253 0.79 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRNOS3NOS1
SCHEMBL2435903 0.78 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1HRH1LOXL2AHR
SCHEMBL15551933 0.77 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1HRH1NOS3NOS1
SCHEMBL17189971 0.76 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1AHRKDM4ELMNA

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 143 patents — showing the first 20. 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 claimed
EP-2496087-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES Diakron Pharmaceuticals, Inc. (US) 2012-09-12 EP claimed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
WO-2011056806-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-12 WO claimed
US-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-05 US claimed
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS ALI MOHAMMED A 2010-03-04 US claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
EP-1907004-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER Novartis AG (CH) 2008-04-09 EP claimed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US claimed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP claimed
JP-2007500717-A 2007-01-18 JP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
WO-2000075134-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-12-14 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 (5 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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 SMN1; SMN2 229/4885L3MBTL1 1067/4885HRH1 447/4885
US-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES TFPI, TFPI2, F2 SMN1; SMN2 4456/4885L3MBTL1 4752/4885HRH1 1468/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 SMN1; SMN2 2993/4885L3MBTL1 3302/4885HRH1 1332/4885
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS REN, IAPP, ACE SMN1; SMN2 3021/4885L3MBTL1 4875/4885HRH1 2006/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 SMN1; SMN2 1314/4885L3MBTL1 182/4885HRH1 2268/4885

“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.